ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783811
CHEMBL1783811
Compound Name BETULINIC ACID GLUTARYL HEMI ESTER
ChEMBL Synonyms Betulinic Acid Glutaryl Hemi Ester
Max Phase 0
Trade Names
Molecular Formula C35H56O7

Additional synonyms for CHEMBL1783811 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C ...
Download SMILES
Standard InChI InChI=1S/C30H48O3.C5H8O4/c1-18(2)19-10-15-30(25(32)33)17-16- ...
Download InChI
Standard InChI Key SOMFEEKMGGVOES-WPWIBRCCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783811

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
456.7 456.3603 7.09 2 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.61 - 7.65 4.91 0 33 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL1783811. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOMFEEKMGGVOES-WPWIBRCCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783811



PubChem 54587384

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