Results for:
PubChem ID: 5281672

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

Compound Details

Synonymous names
myricetin
529-44-2
Cannabiscetin
Myricetol
Myricitin
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
3,3',4',5,5',7-Hexahydroxyflavone
3,5,7,3',4',5'-Hexahydroxyflavone
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
delphidenolon 1575
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
CCRIS 5838
NSC 407290
NSC-407290
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
UNII-76XC01FTOJ
EINECS 208-463-2
76XC01FTOJ
3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one
BRN 0332331
CHEBI:18152
HSDB 7682
MFCD00006827
NSC407290
CHEMBL164
FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-
Myricetin from Myrica cerifera leaf and bark
SMR001233193
SR-01000076005
Myrc
4gqr
C15H10O8
Prestwick_342
Spectrum_001501
SpecPlus_000531
MYRICETIN [MI]
MYRICETIN [HSDB]
MYRICETIN [INCI]
Prestwick0_000465
Prestwick1_000465
Prestwick2_000465
Prestwick3_000465
Spectrum4_001272
Spectrum5_000692
Lopac-M-6760
Myricetin (Cannabiscetin)
BIDD:PXR0079
Lopac0_000740
SCHEMBL19302
BSPBio_000570
KBioGR_001884
KBioSS_001981
MLS002153825
MLS006010718
BIDD:ER0142
DivK1c_006627
Myricetin, analytical standard
SPBio_002509
BPBio1_000628
MEGxp0_000357
DTXSID8022400
ACon1_000267
BDBM15236
cid_5281672
GTPL13074
KBio1_001571
KBio2_001981
KBio2_004549
KBio2_007117
2o63
CHEBI: 18152
REGID_for_CID_5281672
HMS1569M12
HMS2096M12
HMS2231L04
HMS3262C22
HMS3656I05
Myricetin - CAS 529-44-2
BCP28295
Myricetin, >=96.0% (HPLC)
Myricetin, >=96.0%, crystalline
TNP00286
Tox21_500740
HB0434
LMPK12110001
s2326
STL284709
3,7,3',4',5'-Hexahydroxyflavone
AKOS015903103
AC-4533
CCG-204825
CS-6221
DB02375
KS-5268
LP00740
MCULE-6299186219
SDCCGSBI-0050718.P003
3,3',4',5,5',7-hexOH-Flavone
Flavone,3',4',5,5',7-hexahydroxy-
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
NCGC00015697-14
NCGC00015697-25
NCGC00094083-01
NCGC00094083-02
NCGC00094083-03
NCGC00094083-04
NCGC00179517-01
NCGC00179517-02
NCGC00261425-01
CAS-529-44-2
HY-15097
NCI60_003870
SY051702
EU-0100740
M2131
NS00014642
SW196616-2
M 6760
S00115
3,3',4',5,5',7-hexahydroxy-(8CI)- flavone
A829320
Q951449
C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1
Myricetin, primary pharmaceutical reference standard
Q-100601
SR-01000076005-1
SR-01000076005-6
BRD-K43149758-001-04-5
3,3′,4′,5,5′,7-Hexahydroxyflavone
Cannabiscetin; HSDB 7682; HSDB7682; HSDB-7682
3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-7-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)-
Microorganism:

No

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
Molweight318.23
LogP1.2
Atoms23
Bonds1
H-bond Acceptor8
H-bond Donor6
Chemical Classificationbenzenoids aromatic compounds phenols heterocyclic compounds ethers flavonoids ketones
CHEBI-ID18152
Supernatural-IDSN0148040

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
Massbank-Links
Massbank Spectrum MSBNK-BS-BS003377
Massbank Spectrum MSBNK-BS-BS003378
Massbank Spectrum MSBNK-BS-BS003379
Massbank Spectrum MSBNK-BS-BS003380
Massbank Spectrum MSBNK-Fiocruz-FIO00185
Massbank Spectrum MSBNK-Fiocruz-FIO00186
Massbank Spectrum MSBNK-Fiocruz-FIO00187
Massbank Spectrum MSBNK-Fiocruz-FIO00188
Massbank Spectrum MSBNK-Fiocruz-FIO00189
Massbank Spectrum MSBNK-Fiocruz-FIO00190
Massbank Spectrum MSBNK-Fiocruz-FIO00191
Massbank Spectrum MSBNK-Fiocruz-FIO00192
Massbank Spectrum MSBNK-Fiocruz-FIO00193
Massbank Spectrum MSBNK-Fiocruz-FIO00194
Massbank Spectrum MSBNK-Osaka_Univ-OUF00360
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040601
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040602
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040603
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040604
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040607
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040608
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040609
Massbank Spectrum MSBNK-RIKEN_ReSpect-PS040610
Massbank Spectrum MSBNK-RIKEN-PR020006
Massbank Spectrum MSBNK-RIKEN-PR040037
Massbank Spectrum MSBNK-RIKEN-PR040038
Massbank Spectrum MSBNK-RIKEN-PR040039
Massbank Spectrum MSBNK-RIKEN-PR040040
Massbank Spectrum MSBNK-RIKEN-PR302006
Massbank Spectrum MSBNK-RIKEN-PR302012
Massbank Spectrum MSBNK-RIKEN-PR302018
Massbank Spectrum MSBNK-RIKEN-PR302024
Massbank Spectrum MSBNK-RIKEN-PR302030
Massbank Spectrum MSBNK-RIKEN-PR302036
Massbank Spectrum MSBNK-RIKEN-PR302042
Massbank Spectrum MSBNK-RIKEN-PR302047
Massbank Spectrum MSBNK-RIKEN-PR302053
Massbank Spectrum MSBNK-RIKEN-PR302059
Massbank Spectrum MSBNK-RIKEN-PR302065
Massbank Spectrum MSBNK-RIKEN-PR302070
Massbank Spectrum MSBNK-RIKEN-PR305571
Massbank Spectrum MSBNK-RIKEN-PR305584
Massbank Spectrum MSBNK-RIKEN-PR305596
Massbank Spectrum MSBNK-RIKEN-PR305602
Massbank Spectrum MSBNK-RIKEN-PR305607
Massbank Spectrum MSBNK-RIKEN-PR305619
Massbank Spectrum MSBNK-RIKEN-PR305626
Massbank Spectrum MSBNK-Univ_Toyama-TY000149
Massbank Spectrum MSBNK-Univ_Toyama-TY000150
Massbank Spectrum MSBNK-Washington_State_Univ-BML81720
Massbank Spectrum MSBNK-Washington_State_Univ-BML81721

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus OstreatusnaKoreaKim et al. 2008
EukaryotaAgaricus BisporusnaKoreaKim et al. 2008
EukaryotaAgaricus BlazeinaKoreaKim et al. 2008
EukaryotaGanoderma LucidumnaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus OstreatusnaHPLCyes
EukaryotaAgaricus BisporusnaHPLCyes
EukaryotaAgaricus BlazeinaHPLCyes
EukaryotaGanoderma LucidumnaHPLCyes