Summary

IMPPAT Phytochemical identifier: IMPHY016925

Phytochemical name: Cinnamyl-3-phenylpropanoate

Synonymous chemical names:
cinnamyl-3-phenylpropanoate

Chemical structure information

SMILES:
O=C(CCc1ccccc1)OC/C=C/c1ccccc1

InChI:
InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+

InChIKey:
SYPODLJMXGVBQI-KPKJPENVSA-N

DeepSMILES:
O=CCCcccccc6))))))))OC/C=C/cccccc6

Functional groups:
COC(C)=O, c/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)OCC=Cc1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)OCCCC1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.292

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Chemical structure download