Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003162

Phytochemical name: Aureusidin

Synonymous chemical names:
aureusidin

External chemical identifiers:
CID:CID_5281220, ChEMBL:CHEMBL593229, ChEBI:CHEBI:18149, ZINC:ZINC000000897612, SureChEMBL:SCHEMBL4408442

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Chemical structure information

SMILES:
Oc1cc2O/C(=C\c3ccc(c(c3)O)O)/C(=O)c2c(c1)O

InChI:
InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-

InChIKey:
WBEFUVAYFSOUEA-PQMHYQBVSA-N

DeepSMILES:
OcccO/C=C\cccccc6)O))O))))))/C=O)c5cc9)O

Functional groups:
cO, c/C=C1\OccC1=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: 1.028

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Chemical structure download