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Compound InformationSONAR Target prediction
Name:

7-OXOCHOLESTEROL

Unique Identifier:SPE01500854
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:356.288 g/mol
X log p:2.056  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1=CC3=O
Class:sterol
Source:Cliona copiosa
Reference:Annalen 543, 240 (1940); JACS 71:2226 (1949); J Chem Soc 1956:1740; 1968:981; Lipids
3:551 (1968); J Nat Prod 55:1588 (1992)

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4593±0.00975807
Normalized OD Score: sc h 1.0766±0.0454179
Z-Score: 2.0177±1.10378
p-Value: 0.110575
Z-Factor: -2.31173
Fitness Defect: 2.2021
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00023
Plate DMSO Control (-):0.4143±0.01789
Plate Z-Factor:0.8322
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DBLink | Rows returned: 23<< Back 1 2 3 4
6914805 (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,
9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
11175416 (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,
15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
12044013 (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3
,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
15955968 (3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-do
decahydrocyclopenta[a]phenanthren-7-one
15984870 n/a

internal high similarity DBLink | Rows returned: 0

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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