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Compound InformationSONAR Target prediction
Name:

GENISTEIN

Unique Identifier:SPE00210296
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:260.158 g/mol
X log p:14.737  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(cc1)C1=COc2cc(O)cc(O)c2C1=O
Class:isoflavone
Source:widely distributed in Leguminoseae
Reference:Phytochemistry 7: 791 (1968)
Generic_name:5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-B
Chemical_iupac_name:GENISTEIN
Drug_type:Experimental
Kegg_compound_id:C06563
Drugbank_id:EXPT01582
Logp:1.89
Cas_registry_number:446-72-0
Drug_category:Estrogen Receptor Beta inhibitor
Organisms_affected:-1

Found: 204 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6531±0.000353553
Normalized OD Score: sc h 1.0237±0.0107082
Z-Score: 1.5365±0.515107
p-Value: 0.149204
Z-Factor: -2.88686
Fitness Defect: 1.9024
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00154
Plate DMSO Control (-):0.6209250000000001±0.01362
Plate Z-Factor:0.9283
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DBLink | Rows returned: 2
5280961 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
11000304 6,8-dideuterio-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
SPE00211076 0.9008
SPE00201182 0.9084
SPE00201310 0.9141
SPE00201355 0.9225
SPE00201309 0.9286
BTB 12551 0.9333

active | Cluster 14679 | Additional Members: 9 | Rows returned: 4
SPE01500726 0.362068965517241
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059
SPE10100003 0

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