Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007537

Phytochemical name: Z-3-Hexenyl tiglate

Synonymous chemical names:
(z)-3-hexenyl-tiglate, (z )-3-hexenyl tiglate

External chemical identifiers:
CID:CID_5352469

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Chemical structure information

SMILES:
CCC/C=C\COC(=O)/C(=C/C)/C

InChI:
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7-,10-5+

InChIKey:
UEDNMMNLPZRYMI-GBLFQTLVSA-N

DeepSMILES:
CCC/C=C\COC=O)/C=C/C))/C

Functional groups:
C/C=C\C, 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: 2.062

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Chemical structure download