Summary

IMPPAT Phytochemical identifier: IMPHY017623

Phytochemical name: 4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl 2-methylbutyrate

Synonymous chemical names:
4-hydroxy-2-isopropenyl-5-methylhex-5-enyl 2-methylbutyrate

External chemical identifiers:
CID:6429157

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Chemical structure information

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

InChI:
InChI=1S/C15H26O3/c1-7-12(6)15(17)18-9-13(10(2)3)8-14(16)11(4)5/h12-14,16H,2,4,7-9H2,1,3,5-6H3

InChIKey:
YQYGOUBLFZCTSE-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCC=C)C))CCC=C)C))O)))))))C

Functional groups:
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-Likeness score: 1.638

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Chemical structure download