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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 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.5503±0.0019799
Normalized OD Score: sc h 0.9782±0.00101749
Z-Score: -1.8293±0.0466365
p-Value: 0.0674996
Z-Factor: -50.7785
Fitness Defect: 2.6956
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00044
Plate DMSO Control (-):0.561475±0.11690
Plate Z-Factor:0.2827
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DBLink | Rows returned: 21<< Back 1 2 3 4 Next >> 
6576623
6708723
7257963
7257964
7257968
7257970

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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