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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2398568
CHEMBL2398568
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H48O6

Additional synonyms for CHEMBL2398568 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(=O)O)c(C)c(C)c2O1
Standard InChI InChI=1S/C30H48O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-34-2 ...
Download InChI
Standard InChI Key MPFYKLBCIDCZJG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2398568

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
504.7 504.3451 7.4 17 82.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.23 - 9.14 5.53 1 36 0.18

Structural Alerts

There are 11 structural alerts for CHEMBL2398568. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MPFYKLBCIDCZJG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2398568



BindingDB 50436207
PubChem 71682515

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