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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL258370
CHEMBL258370
Compound Name PUKATEINE
ChEMBL Synonyms pukateine
Max Phase 0
Trade Names
Molecular Formula C18H17NO3

Additional synonyms for CHEMBL258370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cc3OCOc3c4c2C1Cc5cccc(O)c45
Standard InChI InChI=1S/C18H17NO3/c1-19-6-5-11-8-14-18(22-9-21-14)17-15(11) ...
Download InChI
Standard InChI Key IKMXUUHNYQWZBC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL258370

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
295.3 295.1208 3.13 0 41.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.44 7.06 3.91 3.7 2 22 0.81

Structural Alerts

There are no structural alerts for CHEMBL258370

Compound Cross References

ChemSpider ChemSpider:IKMXUUHNYQWZBC-UHFFFAOYSA-N
Wikipedia Pukateine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL258370



BindingDB 50202309
Nikkaji J1.737.320J
PubChem 3496768

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