Summary

IMPPAT Phytochemical identifier: IMPHY009290

Phytochemical name: Panaxydol chlorohydrin

Synonymous chemical names:
panaxydol chlorohydrin

External chemical identifiers:
CID:130664

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Chemical structure information

SMILES:
CCCCCCCC(C(CC#CC#CC(C=C)O)O)Cl

InChI:
InChI=1S/C17H25ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h4,15-17,19-20H,2-3,5-7,10,13-14H2,1H3

InChIKey:
PBNFQEYKZLUTLH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC#CC#CCC=C))O)))))))O))Cl

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Halohydrins

ClassyFire Subclass: Chlorohydrins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.513

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Chemical structure download