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

Compound InformationSONAR Target prediction
Name:

SITOSTERYL ACETATE

Unique Identifier:SPE00107023
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C31H52O2
Molecular Weight:404.331 g/mol
X log p:3.772  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:8
Canonical Smiles:CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
Source:ex widespread in plants
Reference:J Am Chem Soc 48: 2987 (1926)

Found: 101 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5628±0.00749533
Normalized OD Score: sc h 0.9746±0.0132531
Z-Score: -1.2809±0.69525
p-Value: 0.253144
Z-Factor: -214.103
Fitness Defect: 1.3738
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00091
Plate DMSO Control (-):0.56735±0.09656
Plate Z-Factor:0.4260
png
ps
pdf

DBLink | Rows returned: 188[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [32]
7213835 [(3R,8S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
7213837 [(3S,8S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
7314324 [(3S,8R,9R,10R,13S,14S,17R)-17-acetyloxy-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-yl] acetate
7314325 [(3S,8R,9R,10R,13S,14S,17S)-17-acetyloxy-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-yl] acetate
7314326 [(3S,8R,9R,10R,13S,14R,17R)-17-acetyloxy-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-yl] acetate
7314327 [(3S,8R,9R,10R,13S,14R,17S)-17-acetyloxy-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 71 2 Next >> 
BTB 13785 0.9254
NRB 03707 0.9254
SB 01787 0.9394
SPE00270029 0.9394
BTB 01201 1.0000
NRB 03882 1.0000

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