Summary

IMPPAT Phytochemical identifier: IMPHY000313

Phytochemical name: 5-Hydroxyauranetin

Synonymous chemical names:
5-hydroxyauranetin

External chemical identifiers:
CID:11079623, ChEMBL:CHEMBL504047, ChEBI:175931, ZINC:ZINC000014437235, SureChEMBL:SCHEMBL4066374

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Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)O)OC

InChI:
InChI=1S/C20H20O8/c1-23-11-8-6-10(7-9-11)15-17(24-2)13(21)12-14(22)18(25-3)20(27-5)19(26-4)16(12)28-15/h6-9,22H,1-5H3

InChIKey:
KBYYZSYVUWCARH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))coccOC))cOC))ccc6c=O)c%10OC)))))O))OC

Functional groups:
c=O, cO, cOC, 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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.148

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Chemical structure download