Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

7-OXOCHOLESTERYL ACETATE

Unique Identifier:SPE00307035
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:396.309 g/mol
X log p:2.529  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3=O)OC(C)=O
Class:sterol
Source:Cliona copiosa
Reference:J Nat Prod 55:1588 (1992)

Found: 192 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [192]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.8085±0.0176777
Normalized OD Score: sc h 0.9982±0.00595336
Z-Score: -0.0926±0.295727
p-Value: 0.83506
Z-Factor: -443.521
Fitness Defect: 0.1803
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-03-03 YYYY-MM-DD
Plate CH Control (+):0.0383±0.00156
Plate DMSO Control (-):0.802225±0.01374
Plate Z-Factor:0.9321
png
ps
pdf

DBLink | Rows returned: 17<< Back 1 2 3
7118133 [(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7118138 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7118143 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7173405 [(3S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7173406 [(3S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 2
SB 01787 0.9041
SPE00270029 0.9041

active | Cluster 15449 | Additional Members: 9 | Rows returned: 0
Service provided by the Mike Tyers Laboratory