Summary

IMPPAT Phytochemical identifier: IMPHY016492

Phytochemical name: 9-Methyl-Z-10-tetradecen-1-ol acetate

Synonymous chemical names:
9-methyl-z-10-tetradecen-1-ol acetate

External chemical identifiers:
CID:5363278, SureChEMBL:SCHEMBL15348432

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Chemical structure information

SMILES:
CCC/C=CC(CCCCCCCCOC(=O)C)C

InChI:
InChI=1S/C17H32O2/c1-4-5-10-13-16(2)14-11-8-6-7-9-12-15-19-17(3)18/h10,13,16H,4-9,11-12,14-15H2,1-3H3/b13-10-

InChIKey:
VHDCGCRMYCHQTR-RAXLEYEMSA-N

DeepSMILES:
CCC/C=CCCCCCCCCCOC=O)C)))))))))))C

Functional groups:
C/C=CC, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.473

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Chemical structure download