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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL386007
CHEMBL386007
Compound Name MELEZITOSE
ChEMBL Synonyms D-Melezitose
Max Phase 0
Trade Names
Molecular Formula C18H32O16

Additional synonyms for CHEMBL386007 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]3O[ ...
Download SMILES
Standard InChI InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10 ...
Download InChI
Standard InChI Key QWIZNVHXZXRPDR-WSCXOGSTSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL386007

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
504.4 504.169 -6.06 8 268.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 11 3 16 11 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.83 - -5.28 -5.28 0 34 0.15

Structural Alerts

There are 2 structural alerts for CHEMBL386007. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QWIZNVHXZXRPDR-WSCXOGSTSA-N
Wikipedia Melezitose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL386007



ACToR 101833-69-6
Brenda 44398 5575
ChEBI 6731
eMolecules 4775657
FDA SRS T4T25QN29L
Human Metabolome Database HMDB0011730
IBM Patent System 893C3A88D76E71A239230F5A16B3CFC3
KEGG Ligand C08243
Mcule MCULE-5286662725
Metabolights MTBLC6731
Nikkaji J9.861B
PubChem 92817
PubChem: Thomson Pharma 24434953
SureChEMBL SCHEMBL131977
ZINC ZINC000006920403

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