Summary

IMPPAT Phytochemical identifier: IMPHY011137

Phytochemical name: (+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one

Synonymous chemical names:
tagetonol

External chemical identifiers:
CID:522417, SureChEMBL:SCHEMBL5803753

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5,8,12H,1,6-7H2,2-4H3

InChIKey:
HPKAJXIDKBSLHJ-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=O)CCC)C)))))O)C

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

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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: 1.638

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Chemical structure download