Summary

IMPPAT Phytochemical identifier: IMPHY009964

Phytochemical name: Ethyl tiglate

Synonymous chemical names:
ethyl tiglate

External chemical identifiers:
CID:5281163, ChEMBL:CHEMBL299599, ChEBI:4892, ZINC:ZINC000000897516, FDASRS:0MQ7E9082G, SureChEMBL:SCHEMBL111293, MolPort-003-896-114

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Chemical structure information

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

InChI:
InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+

InChIKey:
OAPHLAAOJMTMLY-GQCTYLIASA-N

DeepSMILES:
CCOC=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: 1.575

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Chemical structure download