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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL242341
CHEMBL242341
Compound Name FORMONONETIN
ChEMBL Synonyms NSC-93360
Max Phase 0
Trade Names
Molecular Formula C16H12O4

Additional synonyms for CHEMBL242341 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
Standard InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17) ...
Download InChI
Standard InChI Key HKQYGTCOTHHOMP-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL242341

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
268.3 268.0736 2.61 2 55.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.99 - 2.86 2.31 2 20 0.91

Structural Alerts

There are 2 structural alerts for CHEMBL242341. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HKQYGTCOTHHOMP-UHFFFAOYSA-N
PubChem SID: 11113187 SID: 124882928 SID: 124882930 SID: 144212165 SID: 174006771 SID: 26749121 SID: 26753747 SID: 399180 SID: 46501240
Wikipedia Formononetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL242341



ACToR 485-72-3
BindingDB 50021398
ChEBI 18088
eMolecules 513312
EPA CompTox Dashboard DTXSID4022311
FDA SRS 295DQC67BJ
Human Metabolome Database HMDB05808
IBM Patent System 5CD46E6015544F0CDD40851A034B47EC
KEGG Ligand C00858
LINCS LSM-19000
LipidMaps LMPK12050037
Mcule MCULE-4171151967
MolPort MolPort-000-450-946
Nikkaji J12.525C
PubChem 5280378
PubChem: Drugs of the Future 49684258
PubChem: Thomson Pharma 14872571
Selleck Formononetin(Formononetol)
SureChEMBL SCHEMBL62915
ZINC ZINC18847036

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