Summary

IMPPAT Phytochemical identifier: IMPHY004661

Phytochemical name: Apigenin

Synonymous chemical names:
4',5,7-tri-o-methyl-apigenin, apigenin, chamomile, flavone-apigenin

External chemical identifiers:
CID:5280443, ChEMBL:CHEMBL28, ChEBI:18388, ZINC:ZINC000003871576, FDASRS:7V515PI7F6, SureChEMBL:SCHEMBL19428, MolPort-001-740-354

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O

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

InChIKey:
KZNIFHPLKGYRTM-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O)))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: Flavones

NP-Likeness score: 1.358

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Chemical structure download