Summary

IMPPAT Phytochemical identifier: IMPHY010248

Phytochemical name: (6Z,10E)-12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one

Synonymous chemical names:
9-oxofarnesol

External chemical identifiers:
CID:5320326, ZINC:ZINC000103584765

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Chemical structure information

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

InChI:
InChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3/b13-8+,14-7-

InChIKey:
VCXVMWVWGVWZPY-PUCXRGNASA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.773

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Chemical structure download