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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8260
CHEMBL8260
Compound Name BAICALEIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10O5

Additional synonyms for CHEMBL8260 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3
Standard InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14( ...
Download InChI
Standard InChI Key FXNFHKRTJBSTCS-UHFFFAOYSA-N

Sources

  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL8260

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
270.2 270.0528 2.41 1 86.99 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.31 - 3.64 2.21 2 20 0.69

Structural Alerts

There are 9 structural alerts for CHEMBL8260. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FXNFHKRTJBSTCS-UHFFFAOYSA-N
PubChem SID: 11113153 SID: 11114203 SID: 124882850 SID: 124882851 SID: 124882853 SID: 26747176 SID: 50104952 SID: 85272355
Wikipedia Baicalein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8260



ACToR 491-67-8
BindingDB 50009001
Brenda 1102 11882 40175
ChEBI 2979
eMolecules 479226
EPA CompTox Dashboard DTXSID2022389
FDA SRS 49QAH60606
Guide to Pharmacology 5144
Human Metabolome Database HMDB0134890
IBM Patent System 648FA1FD4D14C84C4C8F1CF5C1966C3D
KEGG Ligand C10023
LINCS LSM-6355
LipidMaps LMPK12111095
Mcule MCULE-8669340472
Metabolights MTBLC2979
MolPort MolPort-001-741-408
Nikkaji J22.048E
PDBe 3WL
PubChem 5281605
PubChem: Drugs of the Future 22395190
PubChem: Thomson Pharma 14824071
Selleck Baicalein
SureChEMBL SCHEMBL139617
ZINC ZINC000003871633

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