Summary

IMPPAT Phytochemical identifier: IMPHY009291

Phytochemical name: 13-Tetradecene-1,3-diyne-6,7-diol

Synonymous chemical names:
panaxyne

External chemical identifiers:
CID:53440552, ChEBI:169006, MolPort-046-937-359

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Chemical structure information

SMILES:
C=CCCCCCC(C(CC#CC#C)O)O

InChI:
InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2

InChIKey:
WOVGAQBKTGZPTO-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCC#CC#C)))))O))O

Functional groups:
C#CC#CC, C=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

NP-Likeness score: 2.346

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Chemical structure download