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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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CTF18
Replicates: 2
Raw OD Value: r im 0.5950±0.0108187
Normalized OD Score: sc h 0.9873±0.0212144
Z-Score: -0.6275±1.02485
p-Value: 0.549448
Z-Factor: -87.0829
Fitness Defect: 0.5988
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:2007-11-01 YYYY-MM-DD
Plate CH Control (+):0.0419±0.00274
Plate DMSO Control (-):0.58775±0.02570
Plate Z-Factor:0.8350
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DBLink | Rows returned: 355[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [60]
543835 10,13-dimethyl-17-(5-methyl-5-propan-2-yl-hept-6-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-c
yclopenta[a]phenanthren-3-ol
543837 10,13-dimethyl-17-(5-methylhex-4-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthren-3-ol
544152 17-(7-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthrene-3,16-diol
547753 17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phena
nthren-3-ol
548178 17-(6-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-ol
549966 10,13-dimethyl-17-(6-methyl-5-propan-2-yl-hept-4-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-c
yclopenta[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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