Summary

IMPPAT Phytochemical identifier: IMPHY005601

Phytochemical name: Tricin

Synonymous chemical names:
tricin

External chemical identifiers:
CID:5281702, ChEMBL:CHEMBL454320, ChEBI:59979, ZINC:ZINC000005998961, FDASRS:D51JZL38TQ, SureChEMBL:SCHEMBL44475, MolPort-005-310-458

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O

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

InChIKey:
HRGUSFBJBOKSML-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC))))ccc=O)cco6)cccc6O)))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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.328

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Chemical structure download