Summary

IMPPAT Phytochemical identifier: IMPHY008156

Phytochemical name: Fisetin tetramethyl ether

Synonymous chemical names:
fisetin tetramethyl ether, fisetin tetramethylether, fisetin,tetra-o-methyl, tetra-o- methylfisetin, tetra-o-methylfisetin

External chemical identifiers:
CID:631171, ChEMBL:CHEMBL575808, ZINC:ZINC000014757009, FDASRS:MK6JUA2E4J, SureChEMBL:SCHEMBL7116147

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Chemical structure information

SMILES:
COc1ccc2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC

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

InChIKey:
NAMFTZBUZYVNST-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)occc6=O))OC)))cccccc6)OC)))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: Flavonols

NP-Likeness score: 0.432

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Chemical structure download