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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL526377
CHEMBL526377
Compound Name SKIMMIN
ChEMBL Synonyms Skimmin
Max Phase 0
Trade Names
Molecular Formula C15H16O8

Additional synonyms for CHEMBL526377 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](Oc2ccc3C=CC(=O)Oc3c2)[C@H](O)[C@@H](O)[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3 ...
Download InChI
Standard InChI Key VPAOSFFTKWUGAD-TVKJYDDYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL526377

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
324.3 324.0845 -1.03 3 129.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.73 - -1.23 -1.23 2 23 0.53

Structural Alerts

There are 7 structural alerts for CHEMBL526377. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VPAOSFFTKWUGAD-TVKJYDDYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL526377



Brenda 111877 97152 108598 145839
eMolecules 872335
FDA SRS H072F03PQN
IBM Patent System DABFA677D58FEFFEAB458CECE2CF97BA
Mcule MCULE-4985873960
MolPort MolPort-000-881-167
Nikkaji J4.674D
PubChem 99693
PubChem: Thomson Pharma 15371868
SureChEMBL SCHEMBL1944336
ZINC ZINC000001559620

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