Summary

IMPPAT Phytochemical identifier: IMPHY003668

Phytochemical name: 2,6-Dimethylocta-5,7-dien-4-one

Synonymous chemical names:
tagetone

External chemical identifiers:
CID:91103

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3

InChIKey:
RJXKHBTYHGBOKV-UHFFFAOYSA-N

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

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

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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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.875

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Chemical structure download