GENISTEIN

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Synonyms
Status
Molecule Category Free-form
UNII DH2M523P0H
EPA CompTox DTXSID5022308

Structure

InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Smiles O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O5
Molecular Weight 270.24
AlogP 2.58
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 90.9
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.2-41
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 400 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 63-80
Enzyme Oxidoreductase
- 340-900 - - 0-96.8
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 29
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 480 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
20-950 9.7-990 - 370 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
1.7-956 1.3-990 - 24 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 1
- 10 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 2
- 395 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -5-95.56
Unclassified protein
- - - - 0-51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 2
Bos taurus
- 365 - - 0
Cavia porcellus
28 - - - 14-84
Cricetulus griseus
- 900 - - 31.3-96.8
Electrophorus electricus
- - - - 7.3-12
Equus caballus
- - - - 10.47-41
Escherichia coli
- - - - 40
Homo sapiens
1.7-956 1.3-690 - - -6.2-84.9
Mus musculus
- - - - 13
Prunus dulcis
- - - - 44
Saccharomyces cerevisiae
- - - - 70-84
Sus scrofa
- - - - 3.2

Related Entries

Cross References

Resources Reference
ChEBI 28088
ChEMBL CHEMBL44
DrugBank DB01645
FDA SRS DH2M523P0H
Human Metabolome Database HMDB0003217
Guide to Pharmacology 2826
KEGG C06563
PDB GEN
PharmGKB PA165109660
PubChem 5280961
SureChEMBL SCHEMBL19166
ZINC ZINC000018825330
CONTENTS