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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2332355
CHEMBL2332355
Compound Name SPECIOSIDE
ChEMBL Synonyms Specioside
Max Phase 0
Trade Names
Molecular Formula C24H28O12

Additional synonyms for CHEMBL2332355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)\C=C\c4ccc(O)c ...
Download SMILES
Standard InChI InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22 ...
Download InChI
Standard InChI Key SKNVKBJSSSJNCI-UIBFFPKISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2332355

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
508.5 508.1581 -1.62 7 187.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 3 12 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.66 - -1.06 -1.06 1 36 0.14

Structural Alerts

There are 14 structural alerts for CHEMBL2332355. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SKNVKBJSSSJNCI-UIBFFPKISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2332355



BindingDB 50429455
eMolecules 25721567
Mcule MCULE-9919069241
MolPort MolPort-005-945-223
Nikkaji J2.263.030J J11.262C
PubChem 11948661
PubChem: Thomson Pharma 17384796
ZINC ZINC000067911244

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