Summary

IMPPAT Phytochemical identifier: IMPHY016025

Phytochemical name: Propyl tiglate

Synonymous chemical names:
propyl tiglate

External chemical identifiers:
CID:5367762, ZINC:ZINC000002566033, SureChEMBL:SCHEMBL730199

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Chemical structure information

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

InChI:
InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5+

InChIKey:
RZWMDOQSXWAAMC-FNORWQNLSA-N

DeepSMILES:
CCCOC=O)/C=C/C))/C

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

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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: 1.434

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Chemical structure download