Summary

IMPPAT Phytochemical identifier: IMPHY016077

Phytochemical name: (E)-3,7,11-trimethyldodeca-6,10-dien-1-yl acetate

Synonymous chemical names:
(e)-2,3dihydrofarnesyi acetate

External chemical identifiers:
CID:91694871

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Chemical structure information

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

InChI:
InChI=1S/C17H30O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,16H,6-7,9,11-13H2,1-5H3/b15-10+

InChIKey:
IAKSWXAQVICMSZ-XNTDXEJSSA-N

DeepSMILES:
CCCCOC=O)C)))))CC/C=C/CCC=CC)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: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.088

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Chemical structure download