Results for:
PubChem ID: 5280961

5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

Compound Details

Synonymous names
genistein
446-72-0
Prunetol
4',5,7-Trihydroxyisoflavone
Genisterin
Genisteol
Sophoricol
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
5,7,4'-Trihydroxyisoflavone
Bonistein
Genestein
Differenol A
NPI 031L
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
C.I. 75610
SIPI 807-1
MFCD00016952
NSC 36586
CCRIS 7675
4',5, 7-Trihydroxyisoflavone
NSC36586
EINECS 207-174-9
UNII-DH2M523P0H
NSC-36586
Genistein [USAN]
BRN 0263823
DH2M523P0H
NPI-031L
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
Genistein (Standard)
DTXSID5022308
ISOFLAVONE, 4',5,7-TRIHYDROXY-
CHEBI:28088
HSDB 7475
BIO-300
SIPI-807-1
CHEMBL44
FW-635I-2
Bio 300
MLS000738127
DTXCID002308
GEN
5-18-04-00594 (Beilstein Handbook Reference)
Genistein (USAN)
NCGC00015479-09
GENISTEIN (MART.)
GENISTEIN [MART.]
GENISTEIN (USP-RS)
GENISTEIN [USP-RS]
5,7-dihydroxy-3-(4-hydroxyphenyl)-chromen-4-one
690224-00-1
CAS-446-72-0
Lactoferrin-genistein
SR-01000075498
Genistein?
STO514
PTI G4660
PTI-G4660
SIPI-9764-I
3kgt
3kgu
Genistein, 8
Genistein,(S)
PTI-G 4660
Genistein (GEN)
TNP00151
Spectrum_000320
Tocris-1110
1x7r
2qa8
Genistein 85% HPLC
GENISTEIN [INN]
SpecPlus_000305
GENISTEIN [MI]
GENISTEIN [HSDB]
GENISTEIN [INCI]
Spectrum2_000638
Spectrum3_000678
Spectrum4_001543
Spectrum5_000106
Lopac-G-6649
4',7-Trihydroxyisoflavone
MolMap_000022
UPCMLD-DP096
G 6649
GENISTEIN [WHO-DD]
Isoflavone,5,7-trihydroxy-
Lopac0_000520
Oprea1_224620
Oprea1_437815
SCHEMBL19166
BSPBio_002375
KBioGR_002006
KBioGR_002564
KBioSS_000800
KBioSS_002573
NPI031L
SPECTRUM210296
BIDD:ER0113
DivK1c_006401
Genistein, analytical standard
TEMPO HOT FLASH RELIEF
SPBio_000636
4',5,7-trihydroxy-Isoflavone
GTPL2826
MEGxp0_000568
4,5,7-Trihydroxy Iso-Flavone
UPCMLD-DP096:001
ACon1_001065
BDBM19459
C.I. 75610(ChemID)
cid_5280961
KBio1_001345
KBio2_000800
KBio2_002564
KBio2_003368
KBio2_005132
KBio2_005936
KBio2_007700
KBio3_001595
KBio3_003042
CHEBI: 28088
cMAP_000086
Bio1_000445
Bio1_000934
Bio1_001423
HMS2271K09
HMS3261H21
HMS3267K14
HMS3412I13
HMS3428M01
HMS3649B22
HMS3654D17
HMS3676I13
HMS3742I07
AMY25676
BCP07581
Tox21_110161
Tox21_201428
Tox21_300585
Tox21_500520
AC-472
BBL010484
CCG-38551
HB2775
HY-14596R
LMPK12050218
s1342
STK801619
WHO 11073
AKOS001590147
Tox21_110161_1
CS-1534
DB01645
KS-5128
LP00520
MCULE-4857649752
SB17235
SDCCGSBI-0050503.P003
SMP1_000133
Genistein; 4',5,7-Trihydroxyisoflavone
NCGC00015479-01
NCGC00015479-02
NCGC00015479-04
NCGC00015479-05
NCGC00015479-06
NCGC00015479-07
NCGC00015479-08
NCGC00015479-10
NCGC00015479-11
NCGC00015479-12
NCGC00015479-13
NCGC00015479-14
NCGC00015479-15
NCGC00015479-16
NCGC00015479-17
NCGC00015479-18
NCGC00015479-19
NCGC00015479-20
NCGC00015479-38
NCGC00025005-01
NCGC00025005-02
NCGC00025005-03
NCGC00025005-04
NCGC00025005-05
NCGC00025005-06
NCGC00025005-07
NCGC00169711-01
NCGC00169711-02
NCGC00254275-01
NCGC00258979-01
NCGC00261205-01
1ST40142
HY-14596
NCI60_003369
SMR000112580
SY050124
CS-0694819
EU-0100520
G0272
GENISTEIN (CONSTITUENT OF RED CLOVER)
NS00009870
SW203763-2
C06563
D11680
EN300-210743
G-2535
Genistein, synthetic, >=98% (HPLC), powder
K00046
US8552057, 2
AB00052696_09
AB00052696_12
A826657
GENISTEIN (CONSTITUENT OF SOY ISOFLAVONES)
Q415957
GENISTEIN (CONSTITUENT OF RED CLOVER) [DSC]
Genistein, primary pharmaceutical reference standard
Q-100484
SR-01000075498-1
SR-01000075498-3
SR-01000075498-6
3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
BRD-K43797669-001-02-3
BRD-K43797669-001-03-1
BRD-K43797669-001-10-6
Genistein, from Glycine max (soybean), ~98% (HPLC)
SR-01000075498-10
5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one
F0001-2388
GENISTEIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
4H-1-Benzopyran-4-one,7-dihydroxy-3-(4-hydroxyphenyl)-
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4 H-1-benzopyran-4-one
Genistein, United States Pharmacopeia (USP) Reference Standard
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-(ChemID)
Genistein, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESC1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
InchiInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
FormulaC15H10O5
PubChem ID5280961
Molweight270.24
LogP2.7
Atoms20
Bonds1
H-bond Acceptor5
H-bond Donor3
Chemical Classificationbenzenoids isoflavones ethers heterocyclic compounds aromatic compounds phenols
CHEBI-ID28088
Supernatural-IDSN0363961

mVOC Specific Details

Volatilization
The estimated pKa value of 7.63(1) indicates genistein will exist partially in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. Genistein is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.2X10-12 mm Hg(SRC), determined from a fragment constant method(2).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of genistein can be estimated to be 6,500(SRC). According to a classification scheme(2), this estimated Koc value suggests that genistein is expected to be immobile in soil. The estimated pKa value of 7.63(3), indicates that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
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Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacteroides ThetaiotaomicronNANABryant et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacteroides ThetaiotaomicronBrain Heart Infusion medium with 0.001% heminRP/UPLC-MS/MS (ESI+) (-ESI)no