Summary

IMPPAT Phytochemical identifier: IMPHY012291

Phytochemical name: 2-Methyl-6-methylene-1,7-octadien-3-one

Synonymous chemical names:
1,7-octadien-3-one 2-methyl-6-methylene-, 1,7-octadien-3-one, 2-methyl-6-methylene, 2-methyl-6-methylene-1,7-octadien-3-one, 2-methyl-6-methylene-octa-1,7-dien-3-one

External chemical identifiers:
CID:93231, ZINC:ZINC000005158152, MolPort-046-510-916

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-5-9(4)6-7-10(11)8(2)3/h5H,1-2,4,6-7H2,3H3

InChIKey:
YZWOKWMEQQCMRN-UHFFFAOYSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.008

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Chemical structure download