Summary

IMPPAT Phytochemical identifier: IMPHY016611

Phytochemical name: 3,7,11,15-Tetramethylhexadec-1-yn-3-ol

Synonymous chemical names:
dehydroisophytol

External chemical identifiers:
CID:119867, SureChEMBL:SCHEMBL4432004, MolPort-000-709-655

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Chemical structure information

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

InChI:
InChI=1S/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19,21H,8-16H2,2-6H3

InChIKey:
MULUCORRSAVKOA-UHFFFAOYSA-N

DeepSMILES:
C#CCCCCCCCCCCCCCC)C)))))C)))))C)))))O)C

Functional groups:
C#CC, CO

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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-Likeness score: 0.638

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Chemical structure download