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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL237111
CHEMBL237111
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H48O5

Additional synonyms for CHEMBL237111 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H ...
Download SMILES
Standard InChI InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18) ...
Download InChI
Standard InChI Key HMMGKOVEOFBCAU-BCDBGHSCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL237111

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
512.7 512.3502 6.84 2 80.67 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 2 5 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.28 - 7.42 4.39 0 37 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL237111. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HMMGKOVEOFBCAU-BCDBGHSCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL237111



BindingDB 50241262
Brenda 144001 159820
eMolecules 29913764
FDA SRS BS16QT99Q1
MolPort MolPort-020-005-785
Nikkaji J38.478J
NMRShiftDB 60000007
PubChem 11168203
PubChem: Thomson Pharma 16247750
ZINC ZINC000014089767

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