Summary

IMPPAT Phytochemical identifier: IMPHY017629

Phytochemical name: (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl 3-methylbutyrate

Synonymous chemical names:
(e)-5-hydroxy-2-isopropenyl-5-methylhex-3-enyl 3-methylbutyrate

External chemical identifiers:
CID:6429165

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Chemical structure information

SMILES:
CC(CC(=O)OCC(C(=C)C)/C=C/C(O)(C)C)C

InChI:
InChI=1S/C15H26O3/c1-11(2)9-14(16)18-10-13(12(3)4)7-8-15(5,6)17/h7-8,11,13,17H,3,9-10H2,1-2,4-6H3/b8-7+

InChIKey:
GEUJVWYWFCONDI-BQYQJAHWSA-N

DeepSMILES:
CCCC=O)OCCC=C)C))/C=C/CO)C)C)))))))))C

Functional groups:
C/C=C/C, C=C(C)C, CO, 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 acid esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.883

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Chemical structure download