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Compound InformationSONAR Target prediction
Name:

EUPHOL ACETATE

Unique Identifier:SPE00100583
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:416.341 g/mol
X log p:2.885  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:CC(CCC=C(C)C)C1CCC2(C)C3CCC4C(C)(C)C(CCC4(C)C=3CCC12C)OC(C)=O
Class:sterol
Source:Euphorbia spp
Reference:Helv Chim Acta 37: 2306 (1954)

Found: 2 active | as graph: single | with analogs 2 Next >> 
Species: 4932
Condition: MRT4
Replicates: 2
Raw OD Value: r im 0.4123±0.0121622
Normalized OD Score: sc h 0.8464±0.0350499
Z-Score: -5.0160±0.422027
p-Value: 0.00000124648
Z-Factor: -1.58851
Fitness Defect: 13.5952
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-08-30 YYYY-MM-DD
Plate CH Control (+):0.03949999999999999±0.00059
Plate DMSO Control (-):0.46475±0.05332
Plate Z-Factor:0.4602
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DBLink | Rows returned: 110<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
6427288 [(5S)-17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-3-yl] acetate
6427291 [(3S,10R,13S)-10,13-dimethyl-17-[(E,2R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dod
ecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427292 [(3S,10S,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2S)-4,4,6-trimethylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427293 [(3S,10S,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2S)-4,4,6-trimethylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-
decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427294 [(3S,10S,13R,14S)-4,4,10,13,14-pentamethyl-17-[(E,2R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,5,6,7,8,12,15,1
6,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427295 [(3S,10S,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2S)-4,5,6-trimethylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-
decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 3
SPE00310030 0.9057
SPE00307058 0.9298
SPE00100552 0.9811

nonactive | Cluster 1278 | Additional Members: 6 | Rows returned: 4
SPE00201696 0.253012048192771
SPE00240449 0.243589743589744
SPE00201697 0
SPE00240470 0

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