Summary

IMPPAT Phytochemical identifier: IMPHY009985

Phytochemical name: Hexyl tiglate

Synonymous chemical names:
hexyl tiglate

External chemical identifiers:
CID:637523, ZINC:ZINC000002018241, SureChEMBL:SCHEMBL36099

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Chemical structure information

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

InChI:
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+

InChIKey:
JTCIUOKKVACNCK-BJMVGYQFSA-N

DeepSMILES:
CCCCCCOC=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: 1.422

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Chemical structure download