Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001748

Phytochemical name: Sulfuretin

Synonymous chemical names:
aurone sulfuretin, sulphuretin, sulfuretin

External chemical identifiers:
CID:CID_5281295, ChEMBL:CHEMBL490355, ChEBI:CHEBI:9355, ZINC:ZINC000000897736, FDASRS:M6410VY6MI, SureChEMBL:SCHEMBL634006, MolPort-001-742-479

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Chemical structure information

SMILES:
Oc1ccc2c(c1)O/C(=C\c1ccc(c(c1)O)O)/C2=O

InChI:
InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-

InChIKey:
RGNXWPVNPFAADO-NSIKDUERSA-N

DeepSMILES:
Occcccc6)O/C=C\cccccc6)O))O))))))/C5=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: 0.673

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Chemical structure download