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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

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

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
Brenda 195605 2655 164091 96508
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
Metabolights MTBLC18088
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 ZINC000018847036

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