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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1159652
CHEMBL1159652
Compound Name MELIBIOSE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H22O11

Additional synonyms for CHEMBL1159652 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](OCC2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H] ...
Download SMILES
Standard InChI InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6( ...
Download InChI
Standard InChI Key DLRVVLDZNNYCBX-NAXWWCMCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1159652

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
342.3 342.1162 -4.26 4 189.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 - -4.61 -4.61 0 23 0.25

Structural Alerts

There are 3 structural alerts for CHEMBL1159652. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DLRVVLDZNNYCBX-NAXWWCMCSA-N
Wikipedia Melibiose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1159652



BindingDB 50454691
PubChem 46905267

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