Summary

IMPPAT Phytochemical identifier: IMPHY005471

Phytochemical name: Myricetin

Synonymous chemical names:
cannabiscetin, myricetin, myricetol

External chemical identifiers:
CID:5281672, ChEMBL:CHEMBL164, ChEBI:18152, ZINC:ZINC000003874317, FDASRS:76XC01FTOJ, SureChEMBL:SCHEMBL19302, MolPort-001-740-532

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O

InChI:
InChI=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

InChIKey:
IKMDFBPHZNJCSN-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O))cccO)ccc6)O))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.698

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Chemical structure download