Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004985

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

Synonymous chemical names:
cis-tagetone, (2)-tagetone, (Z)-tagetone, (Z)-Tagetone

External chemical identifiers:
CID:CID_5368956, FDASRS:07CYE528S2, SureChEMBL:SCHEMBL8812729

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Chemical structure information

SMILES:
C=C/C(=C\C(=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/b9-7-

InChIKey:
RJXKHBTYHGBOKV-CLFYSBASSA-N

DeepSMILES:
C=C/C=C\C=O)CCC)C)))))/C

Functional groups:
C=C/C(C)=C\C(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