Summary

IMPPAT Phytochemical identifier: IMPHY005513

Phytochemical name: Chrysin

Synonymous chemical names:
chrysin

External chemical identifiers:
CID:5281607, ChEMBL:CHEMBL117, ChEBI:75095, ZINC:ZINC000003872070, FDASRS:3CN01F5ZJ5, SureChEMBL:SCHEMBL44474, MolPort-001-742-013

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1

InChI:
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

InChIKey:
RTIXKCRFFJGDFG-UHFFFAOYSA-N

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

NP-Likeness score: 1.226

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Chemical structure download