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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL251766
CHEMBL251766
Compound Name KAEMPFERITRIN
ChEMBL Synonyms Kaempferitrin
Max Phase 0
Trade Names
Molecular Formula C27H30O14

Additional synonyms for CHEMBL251766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1O[C@@H](OC2=C(Oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H] ...
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Standard InChI InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14 ...
Download InChI
Standard InChI Key PUPKKEQDLNREIM-QNSQPKOQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL251766

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
578.5 578.1636 -0.21 5 225.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 8 3 14 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.81 - .64 -.95 2 41 0.23

Structural Alerts

There are 5 structural alerts for CHEMBL251766. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PUPKKEQDLNREIM-QNSQPKOQSA-N
Wikipedia Kaempferitrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL251766



ACToR 482-38-2
BindingDB 50331856
ChEBI 68883
eMolecules 10469492
EPA CompTox Dashboard DTXSID90197458
FDA SRS VPV01U3R59
Human Metabolome Database HMDB0037438
IBM Patent System D69AC22B692390C00299B99CCDEAE327
KEGG Ligand C16981
Mcule MCULE-1484262911
Metabolights MTBLC68883 MTBLC133236
MolPort MolPort-001-740-725
Nikkaji J94.496C
PubChem 5486199
PubChem: Drugs of the Future 12015835
PubChem: Thomson Pharma 16782650
SureChEMBL SCHEMBL571402
ZINC ZINC000004216676

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