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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL504329
CHEMBL504329
Compound Name UVARICIN
ChEMBL Synonyms Uvaricin
Max Phase 0
Trade Names
Molecular Formula C39H68O7

Additional synonyms for CHEMBL504329 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCC[C@H](OC(=O)C)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2) ...
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Standard InChI InChI=1S/C39H68O7/c1-4-5-6-7-8-15-18-21-24-35(44-31(3)40)36- ...
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Standard InChI Key JQOYPOSGHDJFLI-AVNCTIOFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL504329

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
649 648.4965 9.46 26 91.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 7 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.74 9.74 0 46 0.07

Structural Alerts

There are 12 structural alerts for CHEMBL504329. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JQOYPOSGHDJFLI-AVNCTIOFSA-N
Wikipedia Uvaricin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL504329



ACToR 82064-83-3
ChEBI 9916
IBM Patent System 3F956DD1E7D688619184FCD0943A5D7C
KEGG Ligand C08572
Nikkaji J2.433.281K
PubChem 441645
PubChem: Thomson Pharma 16875546
SureChEMBL SCHEMBL5881208
ZINC ZINC000008221197

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