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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448382
CHEMBL448382
Compound Name RESINIFERATOXIN
ChEMBL Synonyms Resiniferatoxin
Max Phase 0
Trade Names
Molecular Formula C37H40O9

Additional synonyms for CHEMBL448382 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35 ...
Download InChI
Standard InChI Key DSDNAKHZNJAGHN-GGIHZKEUSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL448382

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
628.7 628.2672 5.5 9 120.75 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 2 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.85 - 7.78 7.78 2 46 0.27

Structural Alerts

There are 7 structural alerts for CHEMBL448382. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DSDNAKHZNJAGHN-GGIHZKEUSA-N
Wikipedia Resiniferatoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448382



BindingDB 50366620
PubChem 44564218

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