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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL550225
CHEMBL550225
Compound Name OENANTHOTOXIN
ChEMBL Synonyms Oenanthotoxin
Max Phase 0
Trade Names
Molecular Formula C17H22O2

Additional synonyms for CHEMBL550225 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
Standard InChI InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13 ...
Download InChI
Standard InChI Key UPXPHJXYZGEBCW-SRFVWEJJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL550225

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
258.4 258.162 2.6 7 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.58 - 3.58 3.58 0 19 0.54

Structural Alerts

There are 8 structural alerts for CHEMBL550225. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UPXPHJXYZGEBCW-SRFVWEJJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL550225



FDA SRS 4GD5A2RG2N
Nikkaji J3.059.779F
PubChem 44138996
PubChem: Thomson Pharma 85094838
SureChEMBL SCHEMBL1170273

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UPXPHJXYZGEBCW-SRFVWEJJSA-N spacer
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