Summary

IMPPAT Phytochemical identifier: IMPHY013276

Phytochemical name: Tristin

Synonymous chemical names:
tristin

External chemical identifiers:
CID:15736297, ChEMBL:CHEMBL471504, ZINC:ZINC000013340225, SureChEMBL:SCHEMBL18563073, MolPort-029-942-928

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Chemical structure information

SMILES:
COc1cc(CCc2cc(O)cc(c2)O)ccc1O

InChI:
InChI=1S/C15H16O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3

InChIKey:
KPFFMALTIRFAHW-UHFFFAOYSA-N

DeepSMILES:
COcccCCcccO)ccc6)O))))))))ccc6O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.891

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Chemical structure download