Summary

IMPPAT Phytochemical identifier: IMPHY017499

Phytochemical name: (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl pentanoate

Synonymous chemical names:
farnesyl valerate

External chemical identifiers:
CID:56935989, ZINC:ZINC000169622370

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Chemical structure information

SMILES:
CCCCC(=O)OC/C=C(/CC/C=C(/CCC=C(C)C)C)C

InChI:
InChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+

InChIKey:
WLNFGKOLWOXXAF-XYAZGONESA-N

DeepSMILES:
CCCCC=O)OC/C=C/CC/C=C/CCC=CC)C)))))C)))))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.481

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Chemical structure download