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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28
CHEMBL28
Compound Name APIGENIN
ChEMBL Synonyms NSC-83244
Max Phase 0
Trade Names
Molecular Formula C15H10O5

Additional synonyms for CHEMBL28 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10 ...
Download InChI
Standard InChI Key KZNIFHPLKGYRTM-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL28

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 2.58 1 90.9 NEUTRAL


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
6.53 - 2.13 .94 3 20 0.63

Structural Alerts

There are 3 structural alerts for CHEMBL28. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KZNIFHPLKGYRTM-UHFFFAOYSA-N
PubChem SID: 11110728 SID: 11110729 SID: 11113975 SID: 121464 SID: 124879148 SID: 124879150 SID: 124879152 SID: 124879154 SID: 124879155 SID: 144208740 SID: 144213201 SID: 17389511 SID: 174006549 SID: 26747161 SID: 26747162 SID: 26752115 SID: 26752116 SID: 46500336 SID: 50104771 SID: 50104772 SID: 50104773 SID: 50114379 SID: 50114380 SID: 85230903 SID: 90341029
Wikipedia Apigenin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28



ACToR 520-36-5 461015-54-3
BindingDB 7458
Brenda 56859 48200 48201 9939 15568 515
ChEBI 18388
ChemicalBook CB1384541
DrugBank DB07352
eMolecules 478202
EPA CompTox Dashboard DTXSID6022391
FDA SRS 7V515PI7F6
Guide to Pharmacology 4136
Human Metabolome Database HMDB0002124
IBM Patent System 1E8856CAF93A626A72391D4CF5B245EB
KEGG Ligand C01477
LINCS LSM-5206
LipidMaps LMPK12110005
Mcule MCULE-6141069907
Metabolights MTBLC18388
MolPort MolPort-001-740-354
Nikkaji J6.601J
PDBe AGI
PubChem 5280443
PubChem: Drugs of the Future 56310575
PubChem: Thomson Pharma 14750506
Selleck Apigenin
SureChEMBL SCHEMBL19428
ZINC ZINC000003871576

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