Summary

IMPPAT Phytochemical identifier: IMPHY005602

Phytochemical name: Tricetin

Synonymous chemical names:
tricetin

External chemical identifiers:
CID:5281701, ChEMBL:CHEMBL247484, ChEBI:507499, ZINC:ZINC000013520048, FDASRS:5627PY99ZO, SureChEMBL:SCHEMBL158384, MolPort-003-665-808

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1cc(O)c(c(c1)O)O

InChI:
InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H

InChIKey:
ARSRJFRKVXALTF-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))cccO)ccc6)O))O

Functional groups:
c=O, cO, 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: Flavones

NP-Likeness score: 1.566

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Chemical structure download