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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: YPT6
Replicates: 2
Raw OD Value: r im 0.5190±0.0379716
Normalized OD Score: sc h 1.0356±0.0360219
Z-Score: 0.4947±0.433098
p-Value: 0.636816
Z-Factor: -5.77686
Fitness Defect: 0.4513
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040775±0.00072
Plate DMSO Control (-):0.5088±0.02111
Plate Z-Factor:0.8388
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DBLink | Rows returned: 355[1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [60]
7052687 (3R,5S,8R,9S,10R,17R)-17-(1-hydroxyethyl)-5,10,17-trimethyl-1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclo
penta[a]phenanthren-3-ol
7052688 (3R,5S,8S,9R,10R,17R)-17-(1-hydroxyethyl)-5,10,17-trimethyl-1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclo
penta[a]phenanthren-3-ol
7052689 (3R,5S,8S,9S,10R,17R)-17-(1-hydroxyethyl)-5,10,17-trimethyl-1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclo
penta[a]phenanthren-3-ol
7052840 (3S,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-prop-2-enyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclope
nta[a]phenanthrene-3,17-diol
7052841 (3S,8R,9R,10R,13R,14S,17R)-10,13-dimethyl-17-prop-2-enyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclope
nta[a]phenanthrene-3,17-diol
7052842 (3R,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-prop-2-enyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclope
nta[a]phenanthrene-3,17-diol

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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