Summary

IMPPAT Phytochemical identifier: IMPHY009577

Phytochemical name: (3S,9R,10R)-heptadeca-4,6-diyne-3,9,10-triol

Synonymous chemical names:
dihydropanaxacol

External chemical identifiers:
CID:130309, ChEBI:173997, ZINC:ZINC000100776585

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Chemical structure information

SMILES:
CCCCCCC[C@H]([C@@H](CC#CC#C[C@H](CC)O)O)O

InChI:
InChI=1S/C17H28O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h15-20H,3-7,10,13-14H2,1-2H3/t15-,16+,17+/m0/s1

InChIKey:
ZEWGSHDZCDJZJF-GVDBMIGSSA-N

DeepSMILES:
CCCCCCC[C@H][C@@H]CC#CC#C[C@H]CC))O)))))))O))O

Functional groups:
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

NP-Likeness score: 2.158

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Chemical structure download