Summary

IMPPAT Phytochemical identifier: IMPHY006543

Phytochemical name: Methyl myrtenate

Synonymous chemical names:
methyl myrtenate

External chemical identifiers:
CID:6429099, FDASRS:HOC6PI359B

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Chemical structure information

SMILES:
COC(=O)C1=CCC2CC1C2(C)C

InChI:
InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3

InChIKey:
HBIHNNBZGOVTTR-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=CCCCC6C4C)C

Functional groups:
CC=C(C)C(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 2.071

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Chemical structure download