Summary

IMPPAT Phytochemical identifier: IMPHY014063

Phytochemical name: 7-O-Methylluteolin

Synonymous chemical names:
7-o-methyl luteolin, 7-o-methylluteolin, luteolin-7-methyl ether

External chemical identifiers:
CID:5318214, ChEMBL:CHEMBL183745, ChEBI:168675, ZINC:ZINC000014813714, FDASRS:732GA1Z079, SureChEMBL:SCHEMBL4203893, MolPort-001-740-950

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3

InChIKey:
RRRSSAVLTCVNIQ-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))cccccc6)O))O

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: Flavones

NP-Likeness score: 1.235

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Chemical structure download