Summary

IMPPAT Phytochemical identifier: IMPHY003891

Phytochemical name: Isoamyl tiglate

Synonymous chemical names:
isoamyl tiglate

External chemical identifiers:
CID:5463682, ZINC:ZINC000002566027, SureChEMBL:SCHEMBL3507005

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5,8H,6-7H2,1-4H3/b9-5+

InChIKey:
ZARFDQHJMNVNLE-WEVVVXLNSA-N

DeepSMILES:
C/C=C/C=O)OCCCC)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: 1.437

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Chemical structure download