Summary

IMPPAT Phytochemical identifier: IMPHY010756

Phytochemical name: Quercetagetin-6,7-3',4'-tetramethyl Ether

Synonymous chemical names:
quercetagetin 6,7,3',4'-tetramethyl ether, quercetagetin-6,7,3',4'-tetramethyl ether

External chemical identifiers:
CID:5316832, ChEMBL:CHEMBL4455875, FDASRS:LZ9K85GMC4

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Chemical structure information

SMILES:
COc1ccc(cc1OC)c1oc2cc(OC)c(c(c2c(=O)c1O)O)OC

InChI:
InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)15(20)14-12(27-18)8-13(25-3)19(26-4)16(14)21/h5-8,21-22H,1-4H3

InChIKey:
QVYSZKIZAPTGSX-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))cocccOC))ccc6c=O)c%10O))))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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.107

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Chemical structure download