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Compound InformationSONAR Target prediction
Name:

beta-SITOSTEROL

Unique Identifier:SPE00107022
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:3.299  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:6
Canonical Smiles:CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:widespread in plants
Reference:J Am Chem Soc 48: 2987 (1926)
Generic_name:CHOLESTEROL
Chemical_iupac_name:CHOLESTEROL
Drug_type:Experimental
Kegg_compound_id:C00187
Drugbank_id:EXPT00945
Logp:7.445
Cas_registry_number:57-88-5
Drug_category:Nuclear Receptor Ror-Alpha inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: BY4741-2nd
Replicates: 2
Raw OD Value: r im 0.9360±0.00282843
Normalized OD Score: sc h 0.9914±0.001248
Z-Score: 0.1285±0.0448211
p-Value: 0.897806
Z-Factor: -31.418
Fitness Defect: 0.1078
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:16|C4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.09850000000000002±0.00655
Plate DMSO Control (-):0.9555000000000001±0.04473
Plate Z-Factor:0.8205
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DBLink | Rows returned: 355[1] << Back 51 52 53 54 55 56 57 58 59 60
16064713 (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,
16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 82 Next >> 
SB 01792 0.9189
SPE00201697 0.9189
SPE00240449 0.9189
SPE00240470 0.9189
SPE01500843 0.9189
SPE00307057 0.9231

active | Cluster 17506 | Additional Members: 20 | Rows returned: 4
SPE00270090 0.529411764705882
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835
SPE00270043 0.315068493150685

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