Summary

IMPPAT Phytochemical identifier: IMPHY000011

Phytochemical name: 3-Hydroxyflavone

Synonymous chemical names:
flavon-3-ol, flavonol, flavonols

External chemical identifiers:
CID:11349, ChEMBL:CHEMBL294009, ChEBI:5078, ZINC:ZINC000000057675, FDASRS:ZTG9LSS5QH, SureChEMBL:SCHEMBL20246, MolPort-000-675-877

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Chemical structure information

SMILES:
O=c1c(O)c(oc2c1cccc2)c1ccccc1

InChI:
InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H

InChIKey:
HVQAJTFOCKOKIN-UHFFFAOYSA-N

DeepSMILES:
O=ccO)cocc6cccc6)))))))cccccc6

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: 0.641

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Chemical structure download