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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL150
CHEMBL150
Compound Name KAEMPFEROL
ChEMBL Synonyms Rhamnolutein | Pelargidenolon | Populnetin | Kaempferol | Robigenin | Trifolitin | Swartziol | Rhamnolutin | Kempferol
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
Standard InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18) ...
Download InChI
Standard InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL150

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 2.28 1 111.13 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 - 2.69 1.38 3 21 0.55

Structural Alerts

There are 4 structural alerts for CHEMBL150. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYRMWMYZSQPJKC-UHFFFAOYSA-N
PubChem SID: 11112381 SID: 11112382 SID: 124882309 SID: 144208363 SID: 144213678 SID: 17389844 SID: 174007227 SID: 26757741 SID: 46501187 SID: 49674535 SID: 50105504
Wikipedia Kaempferol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL150



ACToR 520-18-3
BindingDB 7462
Brenda 408 35794 7628 62438 43511
ChEBI 28499
ChemicalBook CB5223176
DrugBank DB01852
eMolecules 524531
EPA CompTox Dashboard DTXSID7020768
FDA SRS 731P2LE49E
Human Metabolome Database HMDB0005801
IBM Patent System 2A171FA98773931F13636E9D42372B9A
KEGG Ligand C05903
LINCS LSM-5304
LipidMaps LMPK12110003
Mcule MCULE-8965218413
Metabolights MTBLC28499
MolPort MolPort-001-741-568
Nikkaji J1.575J
PDBe KMP
PubChem 5280863
PubChem: Drugs of the Future 56310599
PubChem: Thomson Pharma 14751111
Selleck Kaempferol
SureChEMBL SCHEMBL18817
ZINC ZINC000003869768

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