ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425486
CHEMBL2425486
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H46O16

Additional synonyms for CHEMBL2425486 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[ ...
Download SMILES
Standard InChI InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31- ...
Download InChI
Standard InChI Key SBVBJPHMDABKJV-PGCJWIIOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425486

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
686.7 686.2786 -2.23 15 257.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 10 3 16 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.8 - -2.93 -2.93 2 48 0.1

Structural Alerts

There are 3 structural alerts for CHEMBL2425486. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SBVBJPHMDABKJV-PGCJWIIOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425486



ChemicalBook CB3506992
EPA CompTox Dashboard DTXSID40432760
FDA SRS T9281L29MV
MolPort MolPort-020-006-023
Nikkaji J760.928K
PubChem 9917980
PubChem: Thomson Pharma 14888459
SureChEMBL SCHEMBL16307898
ZINC ZINC000067940726

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