Summary

IMPPAT Phytochemical identifier: IMPHY009997

Phytochemical name: Geranyl isovalerate

Synonymous chemical names:
geranyl 3-methylbutanoate, geranyl isovalerate

External chemical identifiers:
CID:5362830, ChEBI:172479, ZINC:ZINC000002038251, FDASRS:OPO8694RK3, SureChEMBL:SCHEMBL309494

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+

InChIKey:
SOUKTGNMIRUIQN-NTEUORMPSA-N

DeepSMILES:
CCCC=O)OC/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: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 1.876

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Chemical structure download