ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55415
CHEMBL55415
Compound Name SCUTELLAREIN
ChEMBL Synonyms 6-Hydroxyapigenin | 5,6,7,4'-Tetrahydroxyflavone | Scutellarein
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL55415 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2=CC(=O)c3c(O)c(O)c(O)cc3O2
Standard InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6- ...
Download InChI
Standard InChI Key JVXZRQGOGOXCEC-UHFFFAOYSA-N

Sources

  • Patent Bioactivity Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL55415

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
286.2 286.0477 2.17 1 107.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.34 - 2.64 1.23 2 21 0.6

Structural Alerts

There are 9 structural alerts for CHEMBL55415. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JVXZRQGOGOXCEC-UHFFFAOYSA-N
Wikipedia Scutellarein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55415



ACToR 529-53-3
BindingDB 23411
Brenda 27102 68771 157340 8761
ChEBI 9062
eMolecules 2723940
EPA CompTox Dashboard DTXSID40200946
FDA SRS P460GTI853
IBM Patent System 9A4122B2D41DD7843944D1F417684408
KEGG Ligand C10184
LipidMaps LMPK12111160
Metabolights MTBLC9062
MolPort MolPort-003-724-680
Nikkaji J6.686I
PubChem 5281697
PubChem: Thomson Pharma 14775524
SureChEMBL SCHEMBL142093
ZINC ZINC000005842416

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