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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 << Back 1 2
Species: 4932
Condition: ROM2
Replicates: 2
Raw OD Value: r im 0.7342±0.000777817
Normalized OD Score: sc h 1.1037±0.0267217
Z-Score: 4.5918±1.3344
p-Value: 0.000132051
Z-Factor: -3.94461
Fitness Defect: 8.9323
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2007-11-21 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00056
Plate DMSO Control (-):0.645825±0.11838
Plate Z-Factor:0.3954
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DBLink | Rows returned: 1102 3 4 5 6 7 8 9 10  Next >> 
110655 n/a
177801 [(3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,1
2a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
181096 [(3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,
13,14-tetradecahydro-1H-picen-3-yl] acetate
185809 [(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
193352 [(3S,5S,10S,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
259896 [17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-yl] acetate

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

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

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