Summary

IMPPAT Phytochemical identifier: IMPHY009874

Phytochemical name: Myrtenyl acetate

Synonymous chemical names:
myrtenyl acetate, myrtenyl acetate, myrtenyl acetate*

External chemical identifiers:
CID:61262, SureChEMBL:SCHEMBL112577

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Chemical structure information

SMILES:
CC(=O)OCC1=CCC2CC1C2(C)C

InChI:
InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3

InChIKey:
BKATZVAUANSCKN-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC=CCCCC6C4C)C

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

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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: 2.077

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Chemical structure download