Summary

IMPPAT Phytochemical identifier: IMPHY004649

Phytochemical name: Dehydrosafynol

Synonymous chemical names:
(e)-11-tridecene-3,5,7,9-tetrayne-1,2-diol

External chemical identifiers:
CID:5281147, ChEBI:4370

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Chemical structure information

SMILES:
C/C=C/C#CC#CC#CC#C[C@H](CO)O

InChI:
InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1

InChIKey:
CZFQZIRMRQWYEB-YWVDXFKGSA-N

DeepSMILES:
C/C=C/C#CC#CC#CC#C[C@H]CO))O

Functional groups:
C/C=C/C#CC#CC#CC#CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Hydrocarbons

NP-Likeness score: 3.119

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Chemical structure download