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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL172350
CHEMBL172350
Compound Name EUPAFOLIN
ChEMBL Synonyms Eupafolin | 6-Methoxy 5,7,3',4'-Tetrahydroxyflavone | 6-Methoxyluteolin | Pedaltin
Max Phase 0
Trade Names
Molecular Formula C16H12O7

Additional synonyms for CHEMBL172350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12 ...
Download InChI
Standard InChI Key FHHSEFRSDKWJKJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL172350

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
316.3 316.0583 2.15 2 116.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.48 - 2.6 1.36 2 23 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL172350. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FHHSEFRSDKWJKJ-UHFFFAOYSA-N
PubChem SID: 26657785 SID: 26725264 SID: 26756975
Wikipedia Nepetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL172350



ACToR 520-11-6
BindingDB 23412
Brenda 24334 70931
eMolecules 737103
EPA CompTox Dashboard DTXSID10199959
FDA SRS I3O7LF3GED
IBM Patent System 752C577F74241FD32CBBB7D5AEF6B981
LipidMaps LMPK12111230
Mcule MCULE-7564407072
MolPort MolPort-000-774-377
Nikkaji J11.589D
PubChem 5317284
PubChem: Thomson Pharma 14752470
SureChEMBL SCHEMBL828390
ZINC ZINC000005998557

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