Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003484

Phytochemical name: 3,7,11-Trimethyl-1-dodecanol

Synonymous chemical names:
3,7,11-Trimethyl-1-dodecanol, hexa-hydro-farnesol, hexahydrofarnesol

External chemical identifiers:
CID:CID_138824, ChEBI:CHEBI:84239, FDASRS:66J3UW66VV, SureChEMBL:SCHEMBL95500

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Chemical structure information

SMILES:
OCCC(CCCC(CCCC(C)C)C)C

InChI:
InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3

InChIKey:
HDPUXESLSOZSIB-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCC)C)))))C)))))C

Functional groups:
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

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 1.03

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Chemical structure download