Summary

IMPPAT Phytochemical identifier: IMPHY015768

Phytochemical name: Isoprenyl pentanoate

Synonymous chemical names:
isoprenyl pentanoate

External chemical identifiers:
CID:6429322, SureChEMBL:SCHEMBL1136367

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Chemical structure information

SMILES:
CCCCC(=O)OC(=C)C

InChI:
InChI=1S/C8H14O2/c1-4-5-6-8(9)10-7(2)3/h2,4-6H2,1,3H3

InChIKey:
UFLBUFFOFIVMQT-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)OC=C)C

Functional groups:
C=C(C)OC(C)=O

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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: 1.007

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Chemical structure download