Summary

IMPPAT Phytochemical identifier: IMPHY017616

Phytochemical name: (Z)-Hex-3-enyl 3-phenylpropanoate

Synonymous chemical names:
(z)-hex-3-enyl 3-phenylpropanoate

External chemical identifiers:
CID:6429090

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Chemical structure information

SMILES:
CC/C=CCCOC(=O)CCc1ccccc1

InChI:
InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-10H,2,8,11-13H2,1H3/b4-3-

InChIKey:
AIYOLSZNDXXKPH-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCCOC=O)CCcccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.677

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Chemical structure download