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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: LCB3
Replicates: 2
Raw OD Value: r im 0.7956±0.000848528
Normalized OD Score: sc h 0.9966±0.000448989
Z-Score: -0.1872±0.020808
p-Value: 0.851558
Z-Factor: -16.6742
Fitness Defect: 0.1607
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2006-03-31 YYYY-MM-DD
Plate CH Control (+):0.038375000000000006±0.00130
Plate DMSO Control (-):0.786925±0.01378
Plate Z-Factor:0.9469
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DBLink | Rows returned: 355[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [60]
3035603 17-[4-(2,2-dimethylcyclopropyl)butan-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
3036774 (3S,8S,9S,10R,13S,14S,17E)-10,13-dimethyl-17-[(4R,5R)-4,5,6-trimethylheptan-2-ylidene]-1,2,3,4,7,8,9,11,
12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
3037906 (3S,8S,9S,10R,13S,14S,17E)-17-[(4R,5S)-6-hydroxy-4,5,6-trimethyl-heptan-2-ylidene]-10,13-dimethyl-1,2,3,
4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
3082174 (3S,8S,9S,10R,13R,14S,17S)-17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodeca
hydro-1H-cyclopenta[a]phenanthren-3-ol
3082711 (3S,8R,9S,10R,13R,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,8,9,11,12,15,16,17-dod
ecahydrocyclopenta[a]phenanthren-3-ol
3083182 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(1R,2R,3S)-2-methyl-3-propan-2-yl-cyclopropyl]prop
an-2-yl]-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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