Summary

IMPPAT Phytochemical identifier: IMPHY009833

Phytochemical name: (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 3-methylbutanoate

Synonymous chemical names:
lavandulyl isovalerate

External chemical identifiers:
CID:91694932

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Chemical structure information

SMILES:
CC(CC(=O)OC[C@@H](C(=C)C)CC=C(C)C)C

InChI:
InChI=1S/C15H26O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h7,12,14H,5,8-10H2,1-4,6H3/t14-/m0/s1

InChIKey:
WFRXIBJXHAPSPP-AWEZNQCLSA-N

DeepSMILES:
CCCC=O)OC[C@@H]C=C)C))CC=CC)C)))))))))C

Functional groups:
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: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 1.741

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Chemical structure download