Summary

IMPPAT Phytochemical identifier: IMPHY005709

Phytochemical name: Eupalitin

Synonymous chemical names:
eupalitin, eupalitin(3,5,4'-trihydroxy-6,7-dimethoxyflavone)

External chemical identifiers:
CID:5748611, ZINC:ZINC000014779587, FDASRS:P5KF23690D, SureChEMBL:SCHEMBL1144456

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Chemical structure information

SMILES:
COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2c(c1OC)O)O

InChI:
InChI=1S/C17H14O7/c1-22-11-7-10-12(14(20)17(11)23-2)13(19)15(21)16(24-10)8-3-5-9(18)6-4-8/h3-7,18,20-21H,1-2H3

InChIKey:
KWMAWXWUGIEVDG-UHFFFAOYSA-N

DeepSMILES:
COcccoccccccc6))O)))))cc=O)c6cc%10OC)))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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.369

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Chemical structure download