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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL309490
CHEMBL309490
Compound Name GALANGIN
ChEMBL Synonyms NSC-407229
Max Phase 0
Trade Names
Molecular Formula C15H10O5

Additional synonyms for CHEMBL309490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3
Standard InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12) ...
Download InChI
Standard InChI Key VCCRNZQBSJXYJD-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL309490. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL309490

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 2.11 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
6.32 - 3.32 1.99 2 20 0.74

Compound Cross References

ChemSpider ChemSpider:VCCRNZQBSJXYJD-UHFFFAOYSA-N
PubChem SID: 11113137 SID: 124882830 SID: 26754241 SID: 85272545
Wikipedia Galangin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL309490



ACToR 548-83-4
BindingDB 50049391
ChEBI 5262
eMolecules 494438
FDA SRS 142FWE6ECS
Guide to Pharmacology 410
Human Metabolome Database HMDB29521
IBM Patent System BA91BCB5DE96C941E8A78F8FA16AB50D
KEGG Ligand C10044
Mcule MCULE-8693579543
MolPort MolPort-001-740-694
Nikkaji J1.607A
PubChem 5281616
PubChem: Thomson Pharma 14799261
SureChEMBL SCHEMBL117225
ZINC ZINC00120273

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