Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009091

Phytochemical name: Lachnophyllum ester

Synonymous chemical names:
cis-lachnophyllum ester, Lachnophyllum ester, lachnophyllum ester, (e)-2-lachnophyllum ester

External chemical identifiers:
CID:CID_642290, ChEMBL:CHEMBL2269913, ChEBI:CHEBI:6347

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Chemical structure information

SMILES:
CCCC#CC#C/C=C/C(=O)OC

InChI:
InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9+

InChIKey:
LWONXTYZMYZRSU-MDZDMXLPSA-N

DeepSMILES:
CCCC#CC#C/C=C/C=O)OC

Functional groups:
CC#CC#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 acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.429

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Chemical structure download