Results for:
PubChem ID: 5281672

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

Compound Details

Synonymous names
Cannabiscetin
IKMDFBPHZNJCSN-UHFFFAOYSA-N
myricetin
Myricetol
Myricitin
Myricetin, primary pharmaceutical reference standard
MYC
Myricetin-Supplied by Selleck Chemicals
Myricetin, analytical standard
4gqr
AC1NQYV4
CHEMBL164
76XC01FTOJ
Myricetin from Myrica cerifera leaf and bark
2o63
Prestwick_342
BS0289
CM0160
GL5441
SCHEMBL19302
UNII-76XC01FTOJ
BDBM15236
HMDB02755
M2131
Myricetin, Cannabiscetin, Myricetol, Myricitin)
N1850
S2326_Selleck
AN-939
BIDD:ER0142
BIDD:PXR0079
DB02375
LP00740
TNP00286
C10107
CCRIS 5838
HMS1569M12
HMS2096M12
HMS2231L04
HMS3262C22
HMS3656I05
HSDB 7682
S00115
AC-4533
AK111247
BBL023468
BC201817
Bio-0838
BT000486
CS-6221
DR001388
DTXSID8022400
HE280297
HE349008
KS-5268
NSC407290
ST057235
STL284709
A829320
CHEBI:18152
M 6760
M-1214
SpecPlus_000531
Spectrum_001501
ZINC3874317
4CN-1085
AB0149714
AJ-46397
AX8140581
BSPBio_000570
HY-15097
KBioGR_001884
KBioSS_001981
Lopac-M-6760
LS-69005
LMPK12110001
MFCD00006827
Prestwick0_000465
Prestwick1_000465
Prestwick2_000465
Prestwick3_000465
SPBio_002509
Spectrum4_001272
Spectrum5_000692
ZINC03874317
CCG-204825
Myricetin, >=96.0%, crystalline
NSC 407290
NSC-407290
ST24041172
TR-018746
ACon1_000267
AKOS015903103
BPBio1_000628
DivK1c_006627
KBio1_001571
KBio2_001981
KBio2_004549
KBio2_007117
Lopac0_000740
MEGxp0_000357
Q-100601
BRN 0332331
cid_5281672
EU-0100740
FT-0672573
MLS002153825
MLS006010718
SMR001233193
I14-19097
NCI60_003870
Tox21_500740
3,7,3',4',5'-Hexahydroxyflavone
529-44-2
REGID_for_CID_5281672
MCULE-6299186219
Myricetin, >=96.0% (HPLC)
NCGC00015697-01
NCGC00015697-02
NCGC00015697-03
NCGC00015697-04
NCGC00015697-05
NCGC00015697-06
NCGC00015697-07
NCGC00015697-08
NCGC00015697-09
NCGC00015697-10
NCGC00015697-11
NCGC00015697-12
NCGC00015697-13
NCGC00094083-01
NCGC00094083-02
NCGC00094083-03
NCGC00094083-04
NCGC00179517-01
NCGC00179517-02
NCGC00261425-01
CAS-529-44-2
EINECS 208-463-2
3,3',4',5,5',7-Hexahydroxyflavone
3,5,7,3',4',5'-Hexahydroxyflavone
MolPort-001-740-532
Flavone,3',4',5,5',7-hexahydroxy-
3,3',4',5,5',7-hexOH-Flavone
C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1
FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-
3,3 ,4 ,5,5 ,7-Hexahydroxyflavone
BRD-K43149758-001-04-5
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
3,3',4',5,5',7-hexahydroxy-(8CI)- flavone
3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one
3,?5,?7-?TRIHYDROXY-?2-?(3,?4,?5-?TRIHYDROXYPHENYL)-?4H-?1-?BENZOPYRAN-?4-?ONE
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one #
2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI)
Microorganism:

Yes

IUPAC name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESC1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InchiInChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
FormulaC15H10O8
PubChem ID5281672
Molweight318.237
LogP1.85
Atoms33
Bonds35
H-bond Acceptor8
H-bond Donor6
Chemical ClassificationFlavonoides alcohols benzenoids ethers

mVOC Specific Details

Solubility
Sparingly soluble in boiling water; soluble in alcohol. Practically insoluble in chloroform, acetic acid
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. 1095
Literature: #In water, 54.9 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Feb 4, 2009: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Vapor Pressure
PressureReference
6.84X10-17 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Feb 4, 2009: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
MS-MS Spectrum 202028
MS-MS Spectrum 202031
MS-MS Spectrum 20797
MS-MS Spectrum 20795
MS-MS Spectrum 22346
MS-MS Spectrum 202033
MS-MS Spectrum 6372 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 5V Positive
MS-MS Spectrum 202030
MS-MS Spectrum 202036
MS-MS Spectrum 6377 - LC-ESI-ITTOF (LCMS-IT-TOF) Positive
MS-MS Spectrum 202027
MS-MS Spectrum 22348
MS-MS Spectrum 6378 - LC-ESI-ITTOF (LCMS-IT-TOF) Negative
MS-MS Spectrum 6376 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 202029
MS-MS Spectrum 22347
MS-MS Spectrum 6373 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 6374 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 20796
MS-MS Spectrum 202037
MS-MS Spectrum 202032
MS-MS Spectrum 202026
MS-MS Spectrum 202035
MS-MS Spectrum 202034
MS-MS Spectrum 6375 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAgaricus BisporusnaKoreaKim et al., 2008
FungiAgaricus BlazeinaKoreaKim et al., 2008
FungiGanoderma LucidumnaKoreaKim et al., 2008
FungiPleurotus OstreatusnaKoreaKim et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAgaricus BisporusnaHPLCYes
FungiAgaricus BlazeinaHPLCYes
FungiGanoderma LucidumnaHPLCYes
FungiPleurotus OstreatusnaHPLCYes