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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL233929
CHEMBL233929
Compound Name GALUTEOLIN
ChEMBL Synonyms Galuteolin | Luteolin-7-Glucoside | Luteolin 7-O-Glucoside | Glucoluteolin | Luteolin 7-Glucoside
Max Phase 0
Trade Names
Molecular Formula C21H20O11

Additional synonyms for CHEMBL233929 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)[C@H ...
Download SMILES
Standard InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9- ...
Download InChI
Standard InChI Key PEFNSGRTCBGNAN-QNDFHXLGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL233929

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
448.4 448.1006 -0.24 4 190.28 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 7 2 11 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.1 - .53 -.81 3 32 0.26

Structural Alerts

There are 6 structural alerts for CHEMBL233929. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PEFNSGRTCBGNAN-QNDFHXLGSA-N
PubChem SID: 26756970 SID: 85149087

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL233929



ACToR 26811-41-6 5373-11-5
BindingDB 50241242
Brenda 32671 115984 3645 17638 141760 18642 96055 123348 56649 12809 165116 29650 66408 55908
ChEBI 27994
ChemicalBook CB4369516
eMolecules 35875945 1935910
FDA SRS 98J6XDS46I
Human Metabolome Database HMDB0035588
IBM Patent System 180B8AF94D8F668CCA667F40C398F327
KEGG Ligand C03951
Mcule MCULE-8191036162
Metabolights MTBLC27994
MolPort MolPort-001-740-780
Nikkaji J94.450E
PubChem 5280637
PubChem: Drugs of the Future 12015660
PubChem: Thomson Pharma 15082528
SureChEMBL SCHEMBL149118
ZINC ZINC000004096258

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