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Compound Information
SONAR 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 Failures
0
TPSA
0
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
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[205]
Species:
4932
Condition:
HOC1
Replicates:
2
Raw OD Value:
r
im
0.6241±0.00954594
Normalized OD Score:
sc
h
0.9923±0.0152925
Z-Score:
-0.2919±0.547211
p-Value:
0.71076
Z-Factor:
-32.1802
Fitness Defect:
0.3414
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
2|G6
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
27.60 Celcius
Date:
2006-02-14 YYYY-MM-DD
Plate CH Control (+):
0.039575±0.00096
Plate DMSO Control (-):
0.616525±0.01187
Plate Z-Factor:
0.9135
png
ps
pdf
DBLink | Rows returned: 355
[1]
<< Back
51
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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: 8
1
2
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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