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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501115
CHEMBL501115
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H24O13

Additional synonyms for CHEMBL501115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2 ...
Download SMILES
Standard InChI InChI=1S/C30H24O13/c31-12-6-17(35)23-21(7-12)42-30(11-4-18(3 ...
Download InChI
Standard InChI Key WODBGULXKVZGQF-QCPBNORNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL501115

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
592.5 592.1217 2.5 2 229.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 10 3 13 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.75 - -.88 -.9 4 43 0.15

Structural Alerts

There are 7 structural alerts for CHEMBL501115. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WODBGULXKVZGQF-QCPBNORNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501115



ChEBI 65854
Metabolights MTBLC65854
Nikkaji J1.253.388H
NMRShiftDB 20171610 10259
PubChem 637122
PubChem: Thomson Pharma 15507507
ZINC ZINC000042807373

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