Summary

IMPPAT Phytochemical identifier: IMPHY010538

Phytochemical name: Farnesylacetone

Synonymous chemical names:
(5e,9e)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one, (e, e) -farnesyl acetone, (e, e)-farnesyl acetone, (e,e)-farnesyl acetone, (e,e)-farnesylacetone, farnesyl acetone, farnesylacetone

External chemical identifiers:
CID:1711945, ChEMBL:CHEMBL486207, ChEBI:67252, ZINC:ZINC000012358879, FDASRS:3S0G4N267H, SureChEMBL:SCHEMBL17273769, MolPort-005-306-293

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Chemical structure information

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

InChI:
InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+

InChIKey:
LTUMRKDLVGQMJU-IUBLYSDUSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes, Hydrocarbons

NP-Likeness score: 1.559

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Chemical structure download