Results for:
PubChem ID: 5280863

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

Compound Details

Synonymous names
Pelargidenolon
Pelargidenon
Rhamnolutein
kaempferol
Kaempherol
Nimbecetin
Populnetin
Rhamnolutin
Trifolitin
Campherol
IYRMWMYZSQPJKC-UHFFFAOYSA-N
Kaemferol
Kaempferol, primary pharmaceutical reference standard
Kampcetin
Kampferol
Kampherol
Kempferol
Robigenin
Swartziol
Indigo Yellow
Kaempferol-Supplied by Selleck Chemicals
Kaempferol, analytical standard
4det
AC1NQXP1
5,4'-Trihydroxyflavonol
CHEMBL150
Pelargidenolon 1497
BDBM7462
CCRIS 41
CK0011
GP7425
SCHEMBL18817
HMDB05801
K0018
N1719
S2314_Selleck
W1682
3,5,7-Tetrahydroxyflavone
5,7,4'-Trihydroxyflavonol
AC-544
BIDD:ER0134
BIDD:PXR0073
DB01852
Kaempferol, United States Pharmacopeia (USP) Reference Standard
LS-176
TNP00039
731P2LE49E
C05903
DSSTox_CID_768
HMS1571K18
HMS2098K18
HMS2267I09
HMS3656M03
HSDB 7703
J10449
BC215517
BT000416
CS-1273
DNC006613
DTXSID7020768
GS-3570
HE004319
HE279342
HE347988
NSC407289
NSC656277
SBB066091
ST030560
A828886
CHEBI:28499
UNII-731P2LE49E
W-2776
ZINC3869768
AB0010534
AN-15750
BSPBio_001176
CC-29746
DSSTox_GSID_20768
HY-14590
KB-79581
SC-17291
3,4',5,7-Tetrahydroxyflavone
C-18018
DSSTox_RID_75781
LMPK12110003
MFCD00016938
Prestwick0_001098
Prestwick1_001098
Prestwick2_001098
Prestwick3_001098
SPBio_003058
ZINC03869768
3,4,5,7-Tetrahydroxyflavone
AB00514046
AI3-36096
CCG-202823
NSC 407289
NSC 656277
NSC-407289
NSC-656277
TR-018501
3,4′,5,7-Tetrahydroxyflavone
ACon1_001867
AKOS015895240
BPBio1_001294
Flavone,4',5,7-tetrahydroxy-
HSCI1_000027
I06-0240
MEGxp0_001283
Oprea1_650954
Q-100584
BRN 0304401
cid_5280863
FT-0614420
MLS000697730
MLS001055391
MLS001074884
MLS006010737
SMR000112585
Tox21_201165
Tox21_303363
520-18-3
C.I. 75640
Kaempferol, >=90% (HPLC), powder
Kaempferol, >=97.0% (HPLC)
MCULE-8965218413
NCGC00016480-01
NCGC00016480-02
NCGC00016480-03
NCGC00016480-04
NCGC00016480-05
NCGC00016480-06
NCGC00016480-07
NCGC00016480-09
NCGC00091036-01
NCGC00091036-02
NCGC00164322-01
NCGC00179275-01
NCGC00179275-02
NCGC00257464-01
NCGC00258717-01
CAS-520-18-3
EINECS 208-287-6
KAEMPFEROL ROBIGENIN; 3,4',5,7-TETRAHYDRO-XY-FLAVONE
Flavone, 3,4',5,7-tetrahydroxy-
MolPort-001-741-568
3,4',5,7-tetrahydroxy-Flavone (7CI,8CI)
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
5-18-05-00251 (Beilstein Handbook Reference)
Kaempferol|Kempferol|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-chromen-4-one
BRD-K12807006-001-05-2
2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one
3,?5,?7-?TRIHYDROXY-?2-?(4-?HYDROXYPHENYL)-?4H-?1-?BENZOPYRAN-?4-?ONE
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI)
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(4-hydroxyphenyl)-
A91A6666-86C8-4B33-B3EF-F74CD3CD7F47
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one #
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1- benzopyran-4-one
3,5,7-Trihydroxy-2-[4-hydroxy-phenyl]-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-
3,5,7-Trihydroxy-2-[4-hydroxy- phenyl]-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI)
Microorganism:

Yes

IUPAC name3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESC1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InchiInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
FormulaC15H10O6
PubChem ID5280863
Molweight286.239
LogP2.46
Atoms31
Bonds33
H-bond Acceptor6
H-bond Donor4
Chemical ClassificationFlavonoides alcohols benzenoids ethers

mVOC Specific Details

Solubility
Soluble in hot alcohol, ether or alkalies
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 913
Literature: #Insoluble in benzene; slightly soluble in chloroform; soluble in acetic acid, alkalies; very soluble in ethanol, ethyl ether, acetone
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1583
Literature: #In water, 440 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.20. February, 2007. Available from, as of January 22, 2009: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Vapor Pressure
PressureReference
1.1X10-13mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver.3.20. February, 2007. Available from, as of Jan 19, 2009: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
MS-MS Spectrum 6076 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 2449 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 6077 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 6073 - EI-B (JEOL JMS-06-H) Positive
MS-MS Spectrum 201967
MS-MS Spectrum 179923
MS-MS Spectrum 201962
MS-MS Spectrum 2448 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 182258
MS-MS Spectrum 201966
MS-MS Spectrum 6082 - LC-ESI-ITTOF (LCMS-IT-TOF) Negative
MS-MS Spectrum 201964
MS-MS Spectrum 6079 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 201961
MS-MS Spectrum 6081 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 179922
MS-MS Spectrum 179924
MS-MS Spectrum 2450 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 201965
MS-MS Spectrum 201963
MS-MS Spectrum 182256
MS-MS Spectrum 6075 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 5V Positive
MS-MS Spectrum 6080 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 6078 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 182257
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiGanoderma LucidumnaKoreaKim et al., 2008
FungiInonotus ObliquusnaKoreaKim et al., 2008
FungiSparassis CrispanaKoreaKim et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiGanoderma LucidumnaHPLCYes
FungiInonotus ObliquusnaHPLCYes
FungiSparassis CrispanaHPLCYes