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Compound InformationSONAR Target prediction
Name:

DIOSGENIN

Unique Identifier:SPE00100318
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.287 g/mol
X log p:1.805  (online calculus)
Lipinksi Failures0
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
Class:sterol
Source:Clintonia, Dioscorea and Solanum spp, Trillium erectum, Balanites aegyptiaca,
Aletris farinos
Reference:Konstitution und Vorkommen der Organischen Pflanzenstoffe,2nd edn, # 2095 (1972);
Anal Profiles Drug Subst 23:99 (1994)
Therapeutics:antiinflammatory, estrogen; LD50(rat) 4872 mg/kg ip. LD50 (mouse) >8000 mg/kg po

Found: 205 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [205]
Species: 4932
Condition: SAM2
Replicates: 2
Raw OD Value: r im 0.6470±0.0154149
Normalized OD Score: sc h 0.9860±0.0196559
Z-Score: -0.7015±0.984029
p-Value: 0.578872
Z-Factor: -43.2794
Fitness Defect: 0.5467
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-09-21 YYYY-MM-DD
Plate CH Control (+):0.040124999999999994±0.00055
Plate DMSO Control (-):0.646525±0.07994
Plate Z-Factor:0.5963
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DBLink | Rows returned: 21<< Back 1 2 3 4 Next >> 
5170308
5315382
5316916
5317997
6432492
6567186

internal high similarity DBLink | Rows returned: 1
SPE00100305 0.9545

active | Cluster 10789 | Additional Members: 6 | Rows returned: 3
SPE01504607 0.584158415841584
Prest1042 0
SPE00100537 0

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