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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] ...
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Standard InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35 ...
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Standard InChI Key DSDNAKHZNJAGHN-GGIHZKEUSA-N

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:DSDNAKHZNJAGHN-GGIHZKEUSA-N
Wikipedia Resiniferatoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448382



BindinDB 50366620
PubChem 44564218

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