Summary

IMPPAT Phytochemical identifier: IMPHY017879

Phytochemical name: Isomyrcenone

Synonymous chemical names:
isomyrcenone

External chemical identifiers:
CID:91751351

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h5-6H,1,4,7H2,2-3H3

InChIKey:
VOZLDFIRYMGFSU-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)C=O)CC=CC)C

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

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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: Acyclic monoterpenoids

NP-Likeness score: 1.719

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Chemical structure download