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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: ELG1
Replicates: 2
Raw OD Value: r im 0.7330±0.00424264
Normalized OD Score: sc h 1.0250±0.00183543
Z-Score: 1.5657±0.0979353
p-Value: 0.118306
Z-Factor: -2.18944
Fitness Defect: 2.1345
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-10-10 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00065
Plate DMSO Control (-):0.7031000000000001±0.02148
Plate Z-Factor:0.9034
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DBLink | Rows returned: 23<< Back 1 2 3 4 Next >> 
193396 (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9
,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
287664 3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]
phenanthren-7-one
440681 (7R)-7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopen
ta[a]phenanthren-3-one
510082 (3S,10R,13R,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
630242 17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-o
ne
3247054 (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-methyl-heptan-2-yl]
-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

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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