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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL480681
CHEMBL480681
Compound Name CACOSPONGIONOLIDE
ChEMBL Synonyms Cacospongionolide
Max Phase 0
Trade Names
Molecular Formula C25H36O4

Additional synonyms for CHEMBL480681 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC4=CC[C@@H](OC ...
Download SMILES
Standard InChI InChI=1S/C25H36O4/c1-16-8-12-25-15-23(25,2)10-4-5-20(25)24(1 ...
Download InChI
Standard InChI Key FPUWYDSKOKLTDH-FRMRWZTPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL480681

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
400.6 400.2614 4.85 4 55.76 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
9.75 - 3.64 3.64 0 29 0.54

Structural Alerts

There are 4 structural alerts for CHEMBL480681. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FPUWYDSKOKLTDH-FRMRWZTPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL480681



BindingDB 50259951
PubChem 21774960
ZINC ZINC000040934138

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