Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017940

Phytochemical name: 2',3',4'-Trihydroxyflavone

Synonymous chemical names:
2',3',4'-Trihydroxyflavone

External chemical identifiers:
CID:CID_22507438, ChEMBL:CHEMBL3115475, ZINC:ZINC000097439024, SureChEMBL:SCHEMBL1772778, Molport-039-013-993

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Chemical structure information

SMILES:
Oc1ccc(c(c1O)O)c1cc(=O)c2c(o1)cccc2

InChI:
InChI=1S/C15H10O5/c16-10-6-5-9(14(18)15(10)19)13-7-11(17)8-3-1-2-4-12(8)20-13/h1-7,16,18-19H

InChIKey:
JJAXTFSPCLZPIW-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))O))ccc=O)cco6)cccc6

Functional groups:
cO, c=O, 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: Flavones

NP-Likeness score: 0.931

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Chemical structure download