gamma-Undecanolactone

Gamma-undecalactone

gamma-n-Heptylbutyrolactone

gamma-Undecanolide

gamma-Undekalakton

Persicol

PHXATPHONSXBIL-UHFFFAOYSA-

PHXATPHONSXBIL-UHFFFAOYSA-N

Undecanoic gamma-lactone

gamma-Heptyl-gamma-butyrolactone

gamma-Undecalactone, analytical standard

Peach aldehyde

Peach lactone

xi-gamma-Undecalactone

Undecanoic ?-lactone

.gamma.-Heptylbutyrolactone

4-Hydroxyundecanoic acid lactone

4-Undecanolide

AC1L1PDU

.gamma.-Undecanolactone

.gamma.-Undecalactone

.gamma.-n-Heptylbutyrolactone

.gamma.-Undecalatone

.gamma.-Undecanolide

.gamma.-Undekalakton

5-heptyltetrahydrofuran-2-one

gamma-Undecalactone (natural)

Undecan-4-olide

gamma-Undekalakton [Czech]

Undecanoic .gamma.-lactone

1,4-Hendecanolide

1,4-Undecanolide

M524

Undecanolide-1,4

U0003

5-heptyloxolan-2-one

Aldehyde C-14 peach

CHEMBL195827

NSC46118

NSC76413

SCHEMBL113498

Undecanoic gamma-lactone, 99%

CCRIS 1425

HMS1786B22

AK114195

DTXSID4034287

Jsp000459

LP093758

LS-2358

NSC406421

Undecanoic acid, .gamma.-lactone

CHEBI:89362

WLN: T5OVTJ E7

AN-24690

AX8017400

DSSTox_GSID_34287

KB-52236

NSC-46118

NSC-76413

.gamma.-Heptyl-.gamma.-butyrolactone

4-Hydroxyundecanoic acid, .gamma.-lactone

5-Heptyl-dihydro-furan-2-one

BDBM50168011

DSSTox_CID_14287

DSSTox_RID_79139

LMFA07040030

MFCD00005405

5-Heptyldihydro-2(3H)-furanone

5-Heptyldihydrofuran-2(3H)-one

AI3-00751

KB-246110

NSC 406421

NSC-406421

ST24044763

ST50826887

TR-001023

AKOS001076126

J-001223

BRN 0081943

FEMA No. 3091

FT-0695781

Undecanoic acid, 4-hydroxy-, gamma-lactone

5-Heptyl-dihydrofuran-2(3H)-one

5-Heptyldihydro-2(3H)-furanone #

Dihydro-5-heptyl-2(3H)-furanone

gamma-Undecalactone, >=98%, FCC, FG

Tox21_300063

104-67-6

MCULE-9018416843

NCGC00164025-01

NCGC00164025-02

NCGC00254148-01

2(3H)-Furanone, 5-heptyldihydro-

CAS-104-67-6

EINECS 203-225-4

57084-17-0

Undecanoic acid, 4-hydroxy-, .gamma.-lactone

5-heptyl-3,4,5-trihydrofuran-2-one

MolPort-001-783-108

gamma-Undecalactone, natural (US), >=98%, FG

InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

Junipal

HE105151

SCHEMBL14849666

AKOS022504703

501-91-7

2-THIOPHENECARBOXALDEHYDE,5-(1-PROPYN-1-YL)-

2-Thiophenecarboxaldehyde, 5-(1-propyn-1-yl)-

KGJZBUMJSZTLTA-UHFFFAOYSA-N

AC1Q6ATH

AC1L3TEJ

ACMC-20mct5

CTK4G4988

ACMC-20mu67

SCHEMBL9993726

HE030821

5-Butylfuran-2(5H)-one

5-butyl-5H-furan-2-one

5-butyl-2(5H)-furanone

2-butyl-2H-furan-5-one

2(5H)-Furanone,5-butyl-

EINECS 250-133-5

EINECS 274-596-8

70404-04-5

30336-14-2

131616-48-3

110013-17-7

(1)-5-Butylfuran-2(5H)-one

RMYKOFBFMSOHTQ-UHFFFAOYSA-N

AC1LBHJN

thiadiazole-5-carbonitrile

CTK7C9133

SCHEMBL2864386

AKOS014316101

1,2,3-Thiadiazole-5-carbonitrile #

5-Cyano-1,2,3-thiadiazole

57352-02-0

delta-Amylvalerolactone

delta-Caprinolactone

delta-Decanolactone

Delta Decalactone

DELTA-DECALACTONE

GHBSPIPJMLAMEP-UHFFFAOYSA-N

Amyl-delta-valerolactone

6-pentylvalerolactone

delta-Pentyl-delta-valerolactone

.delta.-Amylvalerolactone

5-Decanolide

5-Decalactone

.delta.-Decanolactone

Nat. Delta Decalactone

5-Hydroxydecanoic acid delta-lactone

5-Hydroxydecanoic Acid Delta Lactone

.delta.-Decalactone

6-pentyltetrahydropyran-2-one

AC1L20EP

Decan-5-olide

Amyl-.delta.-valerolactone

delta-Decalactone (natural)

.delta.-Decanolide

P447

Decanolide-1,5

OR6014

5-Pentyl-5-pentanolide

Tetrahydro-6-pentylpyran-2-one

5-Amyl-5-hydroxypentanoic acid lactone

SCHEMBL114875

6-pentyloxan-2-one

STL373782

DTXSID0044496

LP032046

LS-2651

CHEMBL3182189

5-Hydroxydecanoic acid .delta.-lactone

BBL027599

AK105335

CHEBI:87327

5-Decanolide, >=98%

6-pentyl-tetrahydro-pyran-2-one

KB-49648

CC-26321

AX8012372

AN-22103

DSSTox_GSID_44496

TL8006611

MFCD00006649

LMFA07040028

6-Pentyltetrahydro-2H-pyran-2-one

DSSTox_CID_24496

DSSTox_RID_80271

BB_NC-2029

C-05297

ZX-AT010569

ST24029838

ST50406052

AI3-36028

TR-015091

AKOS015914990

BB_NC-02029

W-104548

I14-7194

FEMA No. 2361

BRN 0117520

6-Pentyltetrahydro-2H-pyran-2-one #

Tetrahydro-6-pentyl-2H-pyran-2-one

Tox21_301878

705-86-2

delta-Decalactone, >=98%, FCC, FG

MCULE-2527242599

NCGC00255981-01

(+/-)-delta-Pentyl-delta-valerolactone

EINECS 211-889-1

CAS-705-86-2

35221-79-5

delta-Decalactone, natural, >=98%, FCC, FG

(+/-)-5-Decanolide

2H-Pyran-2-one, tetrahydro-6-pentyl-

Decanoic acid, 5-hydroxy-, .delta.-lactone

MolPort-001-769-698

6-pentyl-3H-4,5,6-trihydropyran-2-one

(+/-)-6-Pentyltetrahydro-2H-pyran-2-one

5-17-09-00090 (Beilstein Handbook Reference)

HKJJSYSMGYOWKY-UHFFFAOYSA-N

AC1LBIDV

5-methyldithiol-3-one

CTK6C5929

3620-08-4

5-methyl-[1,2]dithiol-3-one

5-Methyl-3H-1,2-dithiol-3-one

5-Methyl-3H-1,2-dithiol-3-one #

3H-1,2-Dithiol-3-one, 5-methyl-

FLWXYOZWTCSAQC-UHFFFAOYSA-N

AC1LBY8F

SCHEMBL424668

5-Methylthieno[3,2-b]pyridine

1759-29-1

Thieno[3,2-b]pyridine, 5-methyl-

delta-Pelargonolactone

delta-Nonanolactone

PXRBWNLUQYZAAX-UHFFFAOYSA-N

DELTA-NONALACTONE

delta-Hydroxypelargonic acid lactone

Hydroxynonanoic acid delta-lactone

delta-Butyl-delta-valerolactone

.delta.-Butylvalerolactone

5-Nonanolide

5-Nonalactone

5-Hydroxynonanoic acid delta-lactone

5-Butyl-delta-valerolactone

.delta.-Nonalactone

.delta. Nonalactone

AC1L2CM6

5-Hydroxynonanoic acid, lactone

PubChem9714

delta-Nonalactone;5-n-Butyl-delta-valerolactone

P266

ACMC-20m2tl

ACMC-20mc0c

N0424

5-Butyl-5-hydroxypentanoic acid lactone

SCHEMBL918003

6-butyloxan-2-one

AK307194

Nonan-1,5-olide

HE335583

HE009224

ACM3301948

KB-49651

FCH1116249

6-Butyltetrahydro-2H-pyran-2-one

MFCD00036500

ST50824578

AI3-36027

I14-7189

J-018980

AKOS015914962

FEMA No. 3356

FT-0620493

6-Butyltetrahydro-2H-pyran-2-one #

2H-Pyran-2-one,6-butyltetrahydro-

delta-Nonalactone, natural, 98%, FG

Nonanoic acid, 5-hydroxy-, delta-lactone

delta-Nonalactone, 98%, FCC, FG

MCULE-5855223168

3301-94-8

2H-Pyran-2-one, tetrahydro-6-butyl

2H-Pyran-2-one, 6-butyltetrahydro-

EINECS 221-974-5

99461-67-3

109061-96-3

105140-26-9

MolPort-003-960-102

6-butyl-3H-4,5,6-trihydropyran-2-one

6,6-Dimethyl-1,2,3,4-tetrathiane

Benzosulfonazole

benzothiazol

BENZOTHIAZOLE

benzthiazole

IOJUPLGTWVMSFF-UHFFFAOYSA-N

Benzothiazole, analytical standard

BOT

Vangard BT

BENZO[D]THIAZOLE

benzo[d]thiazol

AC1L1OA4

Benzothiazole, 96%

SCHEMBL8430

1,3-Benzothiazole

KSC486M5N

NSC8040

B0092

CTK3I6656

G5BW2593EP

W9729

ZINC19726

1,3-Benzothiazole #

ACMC-209rv5

CHEMBL510309

RP20214

1-Thia-3-azaindene

CCRIS 7893

HSDB 2796

UNII-G5BW2593EP

AC-3297

AK105881

Benzothiazole, >=96%, FG

DTXSID7024586

FEMA Number 3256

HE020667

HE419098

Jsp004380

LS-1973

MP-2108

NSC 8040

NSC-8040

SBB058513

SCHEMBL9304593

STL268890

ZB000761

CHEBI:45993

DSSTox_CID_4586

O-2857

AJ-08402

AK-72791

AN-13114

ANW-40383

BR-72791

CJ-00148

DSSTox_GSID_24586

KB-47702

SC-18067

ST2412661

TL8005981

TRA0008463

USAF EK-4812

BDBM50444460

DSSTox_RID_77458

MFCD00005775

ZINC00019726

AI3-05742

DB-057562

RTR-029662

ST51023425

TR-029662

AKOS000120178

Epitope ID:138946

I01-0420

Q-100900

WLN: T56 BN DSJ

BRN 0109468

FEMA No. 3256

FT-0622731

FT-0660763

FT-0689534

MLS001050134

SMR001216577

95-16-9

Tox21_201853

Tox21_303232

Benzothiazole, Vetec(TM) reagent grade, 96%

F0001-2268

Z1245735190

CAS-95-16-9

MCULE-5257468117

NCGC00091399-01

NCGC00091399-02

NCGC00257070-01

NCGC00259402-01

EINECS 202-396-2

128366-28-9

MolPort-001-779-851

11895-EP2269978A2

11895-EP2269985A2

11895-EP2269991A2

11895-EP2270010A1

11895-EP2270113A1

11895-EP2270505A1

11895-EP2272828A1

11895-EP2272832A1

11895-EP2272935A1

11895-EP2272972A1

11895-EP2272973A1

11895-EP2275105A1

11895-EP2275409A1

11895-EP2275411A2

11895-EP2276085A1

11895-EP2277858A1

11895-EP2277869A1

11895-EP2277872A1

11895-EP2280000A1

11895-EP2281563A1

11895-EP2281818A1

11895-EP2281824A1

11895-EP2284150A2

11895-EP2284151A2

11895-EP2284152A2

11895-EP2284153A2

11895-EP2284155A2

11895-EP2284156A2

11895-EP2284157A1

11895-EP2284164A2

11895-EP2284920A1

11895-EP2287140A2

11895-EP2287148A2

11895-EP2287150A2

11895-EP2287165A2

11895-EP2287166A2

11895-EP2289871A1

11895-EP2289876A1

11895-EP2292586A2

11895-EP2292590A2

11895-EP2292592A1

11895-EP2292593A2

11895-EP2292611A1

11895-EP2292620A2

11895-EP2292630A1

11895-EP2295419A2

11895-EP2295421A1

11895-EP2295433A2

11895-EP2298732A1

11895-EP2298767A1

11895-EP2298828A1

11895-EP2301534A1

11895-EP2301912A2

11895-EP2301913A1

11895-EP2301914A1

11895-EP2301916A2

11895-EP2301923A1

11895-EP2301983A1

11895-EP2302003A1

11895-EP2305219A1

11895-EP2305637A2

11895-EP2305642A2

11895-EP2305643A1

11895-EP2305651A1

11895-EP2305652A2

11895-EP2305662A1

11895-EP2305675A1

11895-EP2305695A2

11895-EP2305696A2

11895-EP2305697A2

11895-EP2305698A2

11895-EP2308510A1

11895-EP2308562A2

11895-EP2308832A1

11895-EP2308840A1

11895-EP2308849A1

11895-EP2308850A1

11895-EP2308854A1

11895-EP2308863A1

11895-EP2311451A1

11895-EP2311796A1

11895-EP2311797A1

11895-EP2311798A1

11895-EP2311799A1

11895-EP2311842A2

11895-EP2314575A1

11895-EP2314582A1

11895-EP2314587A1

11895-EP2315303A1

11895-EP2316450A1

11895-EP2316459A1

11895-EP2371810A1

11895-EP2371811A2

11895-EP2371812A1

11895-EP2372804A1

11895-EP2378585A1

29076-EP2272517A1

29076-EP2277868A1

29076-EP2277869A1

29076-EP2277870A1

29076-EP2281815A1

29076-EP2305250A1

29076-EP2305640A2

29076-EP2305671A1

29076-EP2305675A1

29076-EP2305769A2

29076-EP2311826A2

29076-EP2311842A2

62566-EP2308812A2

87422-EP2270018A1

87422-EP2298780A1

87422-EP2305689A1

AC-907/25014160

4-27-00-01069 (Beilstein Handbook Reference)

InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5

The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

formononetin

Formononetol

HKQYGTCOTHHOMP-UHFFFAOYSA-N

Formononetin-Supplied by Selleck Chemicals

Formononetin, analytical standard

Neochanin; Flavosil;NEOCHANIN;Formononetol

AC1NQWYT

Biochanin B

4'-O-methyldaidzein

Formononetin, Biochanin B, Formononetol

7-Hydroxy-4'-methoxyisoflavone

Daidzein 4-methyl ether

PubChem9850

CF0045

IN1330

SCHEMBL62915

295DQC67BJ

7-hydroxy-4'-methoxy-isoflavone

CTK8C4788

F0868

Formononetin, United States Pharmacopeia (USP) Reference Standard

HMDB05808

N1625

S2299_Selleck

SPECTRUM102007

BIDD:ER0119

CHEMBL242341

NSC93360

TNP00176

C00858

HMS1922N18

HMS2231I04

HMS3369C07

HMS3655N22

K-080

UNII-295DQC67BJ

AC-8001

AK106172

AN-8422

BBL010458

BC216233

BT000374

CS-3081

DNC007648

DTXSID4022311

HE004033

HE345091

HE345092

HY-N0183

SBB016445

ST024713

STK801612

A827555

CHEBI:18088

DSSTox_CID_2311

SpecPlus_000223

Spectrum_000373

4CN-0880

AB0010475

AJ-70674

ANW-73131

AX8016260

BSPBio_002299

CC-28828

CCG-38727

DSSTox_GSID_22311

KBioGR_001878

KBioSS_000853

LS-39701

NSC 93360

NSC-93360

SC-04770

ALBB-030789

BB_NC-0997

BDBM50021398

C-16842

DSSTox_RID_76544

LMPK12050037

MFCD00016948

SPBio_000639

Spectrum2_000560

Spectrum3_000660

Spectrum4_001429

Spectrum5_000258

ZINC18847036

NCIOpen2_005983

7-Hydroxy-3-(4-methoxyphenyl)chromone

AKOS000270811

DivK1c_006319

I06-0241

Isoflavone, 7-hydroxy-4'-methoxy-

KBio1_001263

KBio2_000853

KBio2_003421

KBio2_005989

KBio3_001519

Oprea1_139748

Oprea1_815287

Q-100540

FT-0626540

FT-0632204

MLS000697593

MLS006011897

SMR000470932

NCI60_042081

Tox21_301848

485-72-3

F3139-1207

7-hydroxy-4'-methoxy-Isoflavone (8CI)

Formononetin, >=99.0% (TLC)

MCULE-4171151967

NCGC00017269-01

NCGC00017269-02

NCGC00017269-03

NCGC00017269-04

NCGC00017269-05

NCGC00017269-06

NCGC00095207-01

NCGC00095207-02

NCGC00095207-03

NCGC00178715-01

NCGC00255167-01

AB00052676-07

CAS-485-72-3

EINECS 207-623-9

SDCCGMLS-0066428.P001

7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone

7-hydroxy-3-(4-methoxyphenyl)chromen-4-one

MolPort-000-450-946

3-(4-methoxyphenyl)-7-oxidanyl-chromen-4-one

AE-641/01968055

Isoflavone, 7-hydroxy-4'-methoxy- (8CI)

7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one

7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one

7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one

7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI)

BRD-K55567017-001-02-4

4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-

4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI)

hesperetin

Hesperitin

Hesperitine

AIONOLUJZLIMTK-AWEZNQCLSA-N

Hesperin

Hesperetin-Supplied by Selleck Chemicals

6JP

AC1L2HRS

AC1Q6KIN

YSO2

Prestwick_908

SCHEMBL39833

BDBM23418

H0721

HMDB05782

HMS503O19

N1856

S2308_Selleck

SPECTRUM310012

ZINC39092

BIDD:ER0512

CHEMBL399121

CID72281

DB01094

H4125_FLUKA

H4125_SIGMA

TNP00238

C01709

HMS1568I10

HMS2095I10

HMS2230M09

HMS3649H22

Q9Q3D557F1

(-)-hesperetin

AC-7970

AK327599

AN-8453

BT000460

DAP001306

DTXSID4022319

HE004506

HE167855

HY-N0168

KS-5307

SBB005936

ST055624

ZB001080

C013015

CHEBI:28230

Spectrum_000181

UNII-Q9Q3D557F1

BSPBio_000168

BSPBio_002808

CCG-38441

KBioGR_002311

KBioSS_000661

NSC 57654

NSC-57654

3',5,7-Trihydroxy-4'-methoxyflavanone

4'-Methoxy-3',5,7-trihydroxyflavanone

5,7,3'-Trihydroxy-4'-methoxyflavanone

LMPK12140003

MFCD00075646

NINDS_001039

Prestwick0_000124

Prestwick1_000124

Prestwick2_000124

Prestwick3_000124

SPBio_001745

SPBio_002107

Spectrum2_001793

Spectrum3_001104

Spectrum4_001935

Spectrum5_000683

ZINC00039092

3',5,7-Trihydroxy-4-methoxyflavanone

ACM41001905

Cyanidanon 4'-methyl ether 1626

LS-185786

AKOS016339567

BPBio1_000186

DivK1c_001039

KBio1_001039

KBio2_000661

KBio2_003229

KBio2_005797

KBio3_002028

Oprea1_828704

BCBcMAP01_000087

FT-0626940

IDI1_001039

MLS002154205

SMP1_000148

SMR001233491

5,7, 3'-Trihydroxy-4'-methoxyflavanone

520-33-2

NCGC00016482-01

NCGC00016482-02

NCGC00016482-03

NCGC00016482-04

NCGC00142415-01

NCGC00142415-02

(-)-(S)-hesperetin

CAS-520-33-2

EINECS 208-290-2

41001-90-5

SDCCGMLS-0066605.P001

MolPort-003-665-801

Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN)

Flavanone, 3',5, 7-trihydroxy-4'-methoxy- (VAN)

BRD-K30553453-001-05-8

(S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI)

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one

2,?3-?DIHYDRO-?5,?7-?DIHYDROXY-?2-?(3-?HYDROXY-?4-?METHOXYPHENYL)-?4H-?1-?BENZOPYRAN-?4-?ONE

(S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

(2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3-Dihydro-4h-1-Benzopyran-4-One

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI)

Quercetin_sathishkumar

Quercetine

Sophoretin

Xanthaurine

Enicostemma Littorale Blume

Kvercetin

quercetin

Quercetin content

Quercetin hydrate

Quercetol

Quercitin

Quertine

REFJWTPEDVJJIY-UHFFFAOYSA-N

Ritacetin

Meletin

Quertin

Flavin meletin

Quer

QUE

Quercetin-Supplied by Selleck Chemicals

QUERCETIN:

4dfu

4mra

AC1NQWX8

CHEMBL50

3cf8

Quercetin - Sophoretin

9IKM0I5T1E

Kvercetin [Czech]

AC1Q795S

AC1Q795T

BDBM7460

Cyanidelonon 1522

Cyanidenolon 1522

GTPL5346

KSC497C4F

Natural Yellow 10

Quercetin, Sophoretin, Meletin, Quercetine

S295

UPCMLD-DP081

BRD9794

BS0155

CQ0011

GP9232

NSC9219

SCHEMBL19723

UNII-9IKM0I5T1E

CTK3J7142

HMDB05794

HMS501I07

N1841

nchembio.65-comp4

P0042

Q0025

S2391_Selleck

SGCUT00001

BIDD:ER0315

BIDD:PXR0007

CI Natural Yellow 10

DB04216

LP00999

LS-589

NSC57655

NSC58588

SCHEMBL219729

TNP00070

TNP00089

Tocris-1125

C00389

CCRIS 1639

HMS1362F09

HMS1792F09

HMS1923O19

HMS1990F09

HMS3263G19

HMS3267M12

HMS3649D04

HMS3656C15

HSDB 3529

K00029

KUC104418N

KUC107684N

nchembio.117-comp3

S00057

SPECTRUM1500672

AK106169

BBL005513

BRD-9794

BT000458

CS-3981

DAP001419

DR001218

DTXSID4021218

HE279180

HE279181

HE280298

HE320663

HE383988

LIM-5662

LNS-5662

NSC 9219

NSC-9219

NSC324608

SBB012521

ST024706

ST057237

STK365650

A-8821

BiomolKI_000062

CHEBI:16243

D011794

DSSTox_CID_1218

NCI-C60106

Q 0125

Spectrum_000124

ZINC3869685

4CN-0923

AC-19596

AJ-46321

AN-22768

ANW-73134

AX8030401

BSPBio_000433

BSPBio_001068

BSPBio_002243

CCG-40054

CI 75670

CID5280343

CJ-10980

DSSTox_GSID_21218

EBD2197934

HY-18085

KB-66753

KBioGR_000408

KBioGR_001293

KBioSS_000408

KBioSS_000584

Lopac-Q-0125

LS-69030

NUT0000107

SC-25667

STOCK1N-04222

3,4',5,7-Pentahydroxyflavone

3,7,3',4'-Pentahydroxyflavone

BiomolKI2_000068

DSSTox_RID_76017

LMPK12110004

Maybridge1_008992

MFCD00006828

MFCD03847906

NINDS_000485

Prestwick0_000507

Prestwick1_000507

Prestwick2_000507

Prestwick3_000507

SPBio_000217

SPBio_002354

Spectrum2_000059

Spectrum3_000642

Spectrum4_000807

Spectrum5_001389

ZINC03869685

AI3-26018

KB-221421

KSC-23-76

MixCom3_000183

NCIOpen2_007628

NCIOpen2_007882

RTX-012622

ST24039236

to_000078

ACon1_000560

AKOS000511724

BPBio1_000477

C.I. Natural red 1

DivK1c_000485

KBio1_000485

KBio2_000408

KBio2_000584

KBio2_002976

KBio2_003152

KBio2_005544

KBio2_005720

KBio3_000775

KBio3_000776

KBio3_001463

Lopac0_000999

MEGxp0_000381

Q-200333

T-Gelb bzw. grun 1

UPCMLD-DP081:001

Bio1_000369

Bio1_000858

Bio1_001347

Bio2_000374

Bio2_000854

BRN 0317313

C.I. Natural Yellow 10

C.I. natural yellow 13

EU-0100999

FT-0603318

FT-0655108

IDI1_000485

IDI1_002129

KSC-10-126

MLS006011766

SMP1_000252

SMR000112559

3',5,7-Tetrahydroxyflavan-3-ol

BAS 00649429

NCI60_042036

Tox21_202308

Tox21_300285

Tox21_500999

117-39-5

3,3',4,5,7-Pentahydroxyflavone

3,3',4',5,6-pentahydroxyflavone

3,3',4',5,7-Pentahydroxyflavone

3,5,7,3',4'-Pentahydroxyflavon

3,5,7,3',4'-Pentahydroxyflavone

C.I . natural yellow 10

C.I. 75670

7255-55-2

Flavone,3',4',5,7-pentahydroxy-

MCULE-2433372790

NCGC00015870-01

NCGC00015870-02

NCGC00015870-03

NCGC00015870-05

NCGC00015870-06

NCGC00015870-07

NCGC00015870-08

NCGC00015870-09

NCGC00015870-10

NCGC00015870-11

NCGC00015870-12

NCGC00015870-13

NCGC00015870-14

NCGC00015870-15

NCGC00015870-16

NCGC00015870-17

NCGC00015870-18

NCGC00015870-19

NCGC00015870-21

NCGC00015870-22

NCGC00015870-23

NCGC00015870-24

NCGC00025016-01

NCGC00025016-02

NCGC00025016-03

NCGC00025016-04

NCGC00025016-05

NCGC00025016-06

NCGC00025016-07

NCGC00025016-08

NCGC00168962-01

NCGC00168962-02

NCGC00168962-03

NCGC00168962-04

NCGC00254218-01

NCGC00259857-01

NCGC00261684-01

NChemBio.2007.10-comp11

Quercetin, >=95% (HPLC), solid

3',4',5,7-Tetrahydroxyflavan-3-ol

3',4',5,7-tetrahydroxyflavon-3-ol

CAS-117-39-5

EINECS 204-187-1

Quercetin; 3,3',4',5,7-Pentahydroxyflavone

3,4',5,5',7-pentahydroxy-Flavone

73123-10-1

74893-81-5

SR-01000076098

A1784/0075599

MolPort-001-740-557

C.I. Natural yellow 10 & 13

CU-01000012502-3

SR-01000076098-1

Flavone, 3,3',4',5,7-pentahydroxy-

Flavone, 3,4',5,5',7-pentahydroxy-

2- -3,5,7-trihydroxy-chromen-4-one

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate

WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ

5-18-05-00494 (Beilstein Handbook Reference)

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

BRD-K97399794-001-02-1

BRD-K97399794-001-07-0

BRD-K97399794-001-11-2

BRD-K97399794-335-03-1

Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin, 6151-25-3

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one

2-?(3,?4-?DIHYDROXYPHENYL)-?3,?5,?7-?TRIHYDROXY-?4H-?1-?BENZOPYRAN-?4-?ONE

2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one

3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one

Quercetin|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one

3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one

49643640-FD4C-4B93-BD28-0D7C2021CC52

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

PHENOXY, 2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)-

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1)

The estimated pKas of 7.17, 8.26, 10.13, 12,30, and 13.11(1) indicate quercetin will partially exist anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Volatilization of quercetin from moist soil surfaces is not expected to be an important fate process because it is an anion and anions do not volatilize(SRC). Quercetin is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.8X10-14 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Feb 14, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

The Koc of quercetin is estimated as 460(SRC), using a water solubility of 60 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that quercetin is expected to have moderate mobility in soil. The estimated pKas of quercetin are 7.17, 8.26, 10.13, 12,30, and 13.11(4), indicating that this compound will partially exist in the anion form in the environment at neutral pH and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Seidell A; Solubilities of Organic Compounds. NY,NY: d. Van Norstrand Co., Inc. (1941) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Feb 14, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)