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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6647±0.00841457
Normalized OD Score: sc h 0.9832±0.00290311
Z-Score: -0.4836±0.175813
p-Value: 0.631322
Z-Factor: -6.11698
Fitness Defect: 0.4599
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.042300000000000004±0.00093
Plate DMSO Control (-):0.6771750000000001±0.01486
Plate Z-Factor:0.9273
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DBLink | Rows returned: 211 2 3 4 Next >> 
10536
99474
135760
234096
441900
3742216

internal high similarity DBLink | Rows returned: 1
SPE00100305 0.9545

nonactive | Cluster 10789 | Additional Members: 6 | Rows returned: 4
SPE01504607 0.584158415841584
LAT005E11 0.340909090909091
Prest1042 0
SPE00100537 0

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