Summary

IMPPAT Phytochemical identifier: IMPHY005447

Phytochemical name: 6-Hydroxyluteolin

Synonymous chemical names:
3,4,5,6,7-pentahydroxyflavone, 6-hydroxy-luteolin, 6-hydroxyluteolin, 6-oh-luteolin

External chemical identifiers:
CID:5281642, ChEMBL:CHEMBL464107, ChEBI:2197, FDASRS:T1XT53489D, SureChEMBL:SCHEMBL1155724

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Chemical structure information

SMILES:
Oc1ccc(cc1O)c1cc(=O)c2c(o1)cc(c(c2O)O)O

InChI:
InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H

InChIKey:
VYAKIUWQLHRZGK-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O)))ccc=O)cco6)cccc6O))O))O

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: 1.522

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Chemical structure download