Summary

IMPPAT Phytochemical identifier: IMPHY008173

Phytochemical name: 6-Demethoxytangeretin

Synonymous chemical names:
4',5,7,8-tetramethoxy-flavone, flavone, 4',5,7,8-tetramethoxy

External chemical identifiers:
CID:629964, ChEMBL:CHEMBL556454, ZINC:ZINC000002585767, FDASRS:2U2U884D0P, SureChEMBL:SCHEMBL987020, MolPort-039-063-527

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Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(cc2OC)OC

InChI:
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(22-2)10-16(23-3)18(24-4)19(17)25-14/h5-10H,1-4H3

InChIKey:
DDGJUTBQQURRGE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cOC))ccc6OC))))OC

Functional groups:
c=O, 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: 0.78

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Chemical structure download