Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.6710±0.000636396
Normalized OD Score: sc h 0.9770±0.0175562
Z-Score: -1.0275±0.81323
p-Value: 0.379962
Z-Factor: -11.3879
Fitness Defect: 0.9677
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00109
Plate DMSO Control (-):0.6667000000000001±0.02938
Plate Z-Factor:0.8338
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory