Summary

IMPPAT Phytochemical identifier: IMPHY013376

Phytochemical name: Oenanthotoxin

Synonymous chemical names:
oenanthotoxin

External chemical identifiers:
CID:44138996, ChEMBL:CHEMBL550225, ChEBI:144406, FDASRS:4GD5A2RG2N, SureChEMBL:SCHEMBL1170273

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Chemical structure information

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

InChI:
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11+/t17-/m1/s1

InChIKey:
UPXPHJXYZGEBCW-SRFVWEJJSA-N

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

Functional groups:
C/C=C/C#CC#C/C=C/C=C/C, 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: 3.013

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Chemical structure download