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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL31574
CHEMBL31574
Compound Name FISETIN
ChEMBL Synonyms NSC-407010
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL31574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1 ...
Download InChI
Standard InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL31574. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL31574

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 1.87 1 107.22 NEUTRAL


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
6.83 - 1.97 1.33 2 21 0.6

Compound Cross References

ChemSpider ChemSpider:XHEFDIBZLJXQHF-UHFFFAOYSA-N
PubChem SID: 11113262 SID: 11113263 SID: 124883071 SID: 124883072 SID: 26749675 SID: 26753766 SID: 476876
Wikipedia Fisetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL31574



ACToR 528-48-3
Atlas fisetin
BindingDB 7457
ChEBI 42567
DrugBank DB07795
DSSTox DTXSID4022317
eMolecules 711423
FDA SRS OO2ABO9578
Guide to Pharmacology 5182
IBM Patent System 5BF54C26A1451E67C1BACE1A22C37A3C
KEGG Ligand C10041
LINCS LSM-6579
Mcule MCULE-8216354240
MolPort MolPort-000-882-130
Nikkaji J1.584I
NMRShiftDB 20096805
PDBe FSE
PubChem 5281614
PubChem: Drugs of the Future 12015309
PubChem: Thomson Pharma 14922300
Selleck Fisetin(Fustel)
SureChEMBL SCHEMBL39454
ZINC ZINC00039111

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