Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000479

Phytochemical name: 6,10,14-Trimethylpentadecan-2-one

Synonymous chemical names:
6,10,14-trimethyl-2-pentadecanone, hexahydrofarnesylacetone, hexahydroxyfarnesyl acetone, hexahydrofarnesyl acetone, 6,10,14-trimethylpentadecan-2-one (hexahydrofarnesylacetone), 6,10,14-trimethylpentadecan-2-on, 6,10,14,trimethyl-2-pentadecanone, 2-pentadecanone-6,10,14-trimethyl, 6,10,14-trimethyc2-pentadecanone, hexahydrofarnesyl aceton, hexa hydro farnesyl acetone, pentadecanone 6,10,14-trimethyl, 6,10,14-trimetyl-2- pentadecanone, pentadecan-2-one, 6,10,14-trimethyl, 2-pentadecanon,6,10,14 trimethyl, phytone, Hexahydrofarnesyl acetone, 6,10,14- trimethyl-2-pentadecanone, 6,10,14-trimethyl-pentadecane-2-on, 6,10,14-trimethyl-pentadecan-2-one, phytone(6,10,14-trimethylpentadecan-2-one), hexahydrofarnesyl acetone (6), 6,10,14-Trimethylpentadecan-2-one, hexahydro farnesyl acetone

External chemical identifiers:
CID:CID_10408, ChEBI:CHEBI:145744, SureChEMBL:SCHEMBL716506, MolPort-001-758-493

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Chemical structure information

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

InChI:
InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3

InChIKey:
WHWDWIHXSPCOKZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)C)))))CCCCCCCC=O)C)))))C

Functional groups:
CC(C)=O

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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: Diterpenoids

NP Classifier Class: Phytane diterpenoids

NP-Likeness score: 0.798

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Chemical structure download