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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: 190 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [190]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7573±0.000282843
Normalized OD Score: sc h 1.0546±0.00565091
Z-Score: 2.9699±0.35177
p-Value: 0.00389692
Z-Factor: -6.00316
Fitness Defect: 5.5476
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00025
Plate DMSO Control (-):0.69275±0.12390
Plate Z-Factor:0.4147
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DBLink | Rows returned: 110<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
635170 [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-cyclopent
a[a]phenanthren-3-yl] acetate
636624 n/a
3036237 [(3S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17
-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
3082493 n/a
3580556 (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl) acetate
4103050 (10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

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

active | Cluster 1278 | Additional Members: 6 | Rows returned: 2
SPE00201697 0
SPE00240470 0

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