Summary

IMPPAT Phytochemical identifier: IMPHY006662

Phytochemical name: Aurone

Synonymous chemical names:
aurone

External chemical identifiers:
CID:6537099, ChEMBL:CHEMBL1315175, ChEBI:47964, ZINC:ZINC000002786059, SureChEMBL:SCHEMBL305100, MolPort-001-648-700

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Chemical structure information

SMILES:
O=C1/C(=C/c2ccccc2)/Oc2c1cccc2

InChI:
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10H/b14-10-

InChIKey:
OMUOMODZGKSORV-UVTDQMKNSA-N

DeepSMILES:
O=C/C=C/cccccc6)))))))/Occ5cccc6

Functional groups:
c/C=C1OccC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(=Cc2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1C(CC2CCCCC2)OC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Aurone flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Aurones

NP-Likeness score: -0.247

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Chemical structure download