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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16171
CHEMBL16171
Compound Name WOGONIN
ChEMBL Synonyms Wogonin
Max Phase 0
Trade Names
Molecular Formula C16H12O5

Additional synonyms for CHEMBL16171 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3
Standard InChI InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16 ...
Download InChI
Standard InChI Key XLTFNNCXVBYBSX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16171

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
284.3 284.0685 2.64 2 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.83 - 2.24 1.32 2 21 0.89

Structural Alerts

There are 4 structural alerts for CHEMBL16171. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLTFNNCXVBYBSX-UHFFFAOYSA-N
PubChem SID: 534371 SID: 85272354
Wikipedia Wogonin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16171



ACToR 632-85-9
BindingDB 50140257
Brenda 78742 162085 7623
ChEBI 10043
eMolecules 2736681
EPA CompTox Dashboard DTXSID70212557
FDA SRS POK93PO28W
IBM Patent System 89580B654FE5C46173D7FB6EC84A2D72
KEGG Ligand C10197
LipidMaps LMPK12111330
Mcule MCULE-9854289767
Metabolights MTBLC10043
MolPort MolPort-001-742-489
Nikkaji J12.474E
PubChem 5281703
PubChem: Thomson Pharma 14848873
SureChEMBL SCHEMBL139083
ZINC ZINC000000899093

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