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Compound InformationSONAR Target prediction
Name:

STIGMASTEROL

Unique Identifier:SPE01504051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:7.445  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:soya and calabar beans; widely distributed in plant oils
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 41 42 43 44 45 46 47 48 49 50  Next >> [205]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7239±0.00961665
Normalized OD Score: sc h 0.9778±0.0124769
Z-Score: -0.4849±0.6858
p-Value: 0.666056
Z-Factor: -32.7588
Fitness Defect: 0.4064
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00061
Plate DMSO Control (-):0.71305±0.02182
Plate Z-Factor:0.8979
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DBLink | Rows returned: 355[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [60]
156109 4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8a-diol
158046 17-(4-ethyl-6-methyl-5-methylidene-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
158273 17-(4,6-dimethyl-5-methylidene-octan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-c
yclopenta[a]phenanthren-3-ol
159101 (2R,4aR,4bS,8aS)-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-ol
162452 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
165297 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydr
o-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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