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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8145
CHEMBL8145
Compound Name DAIDZEIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10O4

Additional synonyms for CHEMBL8145 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
Standard InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6 ...
Download InChI
Standard InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL8145

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
254.2 254.0579 2.87 1 70.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.01 - 2.63 2.11 3 19 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL8145. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZQSIJRDFPHDXIC-UHFFFAOYSA-N
PubChem SID: 11111095 SID: 11114077 SID: 124879927 SID: 124879929 SID: 124879930 SID: 124879932 SID: 124879933 SID: 144208642 SID: 144213952 SID: 17389519 SID: 174007201 SID: 26747166 SID: 26747167 SID: 26752188 SID: 26752189 SID: 46500432 SID: 50085965 SID: 50104845 SID: 50104846 SID: 50104847 SID: 50113497 SID: 50113498 SID: 50126369 SID: 85231010 SID: 90341229
Wikipedia Daidzein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8145



ACToR 486-66-8
BindingDB 23420
Brenda 206527 848 28121 56863 124333 124050
ChEBI 28197
ChemicalBook CB7173989
DrugBank DB13182
eMolecules 496368
EPA CompTox Dashboard DTXSID9022310
FDA SRS 6287WC5J2L
Guide to Pharmacology 2828
Human Metabolome Database HMDB0003312
IBM Patent System 965FB34ED40EC78EABC8197EFD6A3420
KEGG Ligand C10208
LINCS LSM-2935
LipidMaps LMPK12050038
Mcule MCULE-8239511422
Metabolights MTBLC28197
MolPort MolPort-000-003-017
Nikkaji J6.014C
PubChem 5281708
PubChem: Drugs of the Future 49684218
PubChem: Thomson Pharma 14847806
Selleck Daidzein
SureChEMBL SCHEMBL19814
ZINC ZINC000018847034

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