ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1625803
CHEMBL1625803
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H42O21

Additional synonyms for CHEMBL1625803 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H ...
Download SMILES
Standard InChI InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8- ...
Download InChI
Standard InChI Key UQZIYBXSHAGNOE-XNSRJBNMSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1625803

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
666.6 666.2219 -9.75 11 347.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
21 14 3 21 14 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.81 - -6.64 -6.64 0 45 0.1

Structural Alerts

There are 2 structural alerts for CHEMBL1625803. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UQZIYBXSHAGNOE-XNSRJBNMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1625803



ACToR 10094-58-3
Brenda 1018
ChEBI 17164
ChemicalBook CB8466264
eMolecules 28206747
Human Metabolome Database HMDB0003553
IBM Patent System 7BB66880C615226B52BB7DCE5691ADF3
KEGG Ligand C01613
Metabolights MTBLC17164
MolPort MolPort-027-835-541
Nikkaji J5.938B
PubChem 439531
Rhea 17164
SureChEMBL SCHEMBL32922
ZINC ZINC000085544384

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