Summary

IMPPAT Phytochemical identifier: IMPHY016764

Phytochemical name: Myrtenyl methyl ether

Synonymous chemical names:
myrtenyl methyl ether

External chemical identifiers:
CID:15775107, SureChEMBL:SCHEMBL2894649

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Chemical structure information

SMILES:
COCC1=CCC2CC1C2(C)C

InChI:
InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3

InChIKey:
GMYAZJHVKQKHSD-UHFFFAOYSA-N

DeepSMILES:
COCC=CCCCC6C4C)C

Functional groups:
CC=C(C)C, COC

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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: 1.955

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Chemical structure download