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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

Structural Alerts

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

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

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
BindinDB 50021398
ChEBI 18088
eMolecules 513312
FDA SRS 295DQC67BJ
Human Metabolome Database HMDB05808
IBM Patent System 5CD46E6015544F0CDD40851A034B47EC
IBM Patents WO2008064778A2 US20040092602 EP2241306A2 US20090099223 EP2063898A1 WO2005115170A1 WO2008120105A2 US20050019833 WO2008155391A2 WO2004002470A1 WO2008075888A1 EP2217259A2 US6391310 EP0656786A1 EP1259221A1 EP0548884A1 WO2001036004A2 US20030194469 WO2007051629A1 US7295889 WO2000064438A1 US6682695 US20060183211 EP1684756A1 WO1999043335A1 EP1189897B1 EP1196138A1 EP1551239A1 US6608089 US20080274478 US20090018185 US20010020009 EP1189897A1 US20100022991 EP1166643A1 EP1671673B1 EP1778656A1 WO2010019212A2 US20060234948 EP2135074A2 WO1995010529A1 EP1377254A2 US20050148501 WO2000030665A1 US20070050865 WO2009089042A1 US20100023344 WO2002053122A2 US20060264497 EP1616489A1 WO2004009576A2 US20020197288 US20040121059 WO2009009906A1 US20090004209 US7507423 US20070014719 EP1047420B1 US5830887 US20060280840 US4163746 EP1171119A1 US20040106561 WO2000069272A1 EP1634576A1 EP1073446A1 US20050032767 US20090215768 WO2008102350A1 WO2002100478A2 EP1984377A2 EP1032568B1 EP1011630B2 US6649648 US20090221690 EP2167018A2 US6413533 US20050025737 US20030232091 US20080242694 WO2008112707A1 US20050059616 EP2223679A2 US20060035846 US20040170655 US20070049618 WO2001058262A1 EP2241353A2 WO2008021699A2 US20040048812 WO1994023716A1 EP1133308B1 US20080176811 US20030180404 WO2010036961A1 WO2010052129A2 EP2011476A2 US20100022489 US7312344 US20040086420
KEGG Ligand C00858
LINCS LSM-19000
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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