Summary

IMPPAT Phytochemical identifier: IMPHY012715

Phytochemical name: Pinosylvin

Synonymous chemical names:
pinosylvin

External chemical identifiers:
CID:5280457, ChEMBL:CHEMBL101506, ChEBI:17323, ZINC:ZINC000000901115, FDASRS:881R434AIB, SureChEMBL:SCHEMBL454262, MolPort-000-880-993

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Chemical structure information

SMILES:
Oc1cc(/C=C/c2ccccc2)cc(c1)O

InChI:
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+

InChIKey:
YCVPRTHEGLPYPB-VOTSOKGWSA-N

DeepSMILES:
Occc/C=C/cccccc6))))))))ccc6)O

Functional groups:
c/C=C/c, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

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: 0.579

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Chemical structure download