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Compound InformationSONAR Target prediction
Name:

ENOXOLONE

Unique Identifier:SPE01500990
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:425.327 g/mol
X log p:-0.225  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC21C)C(O)=O
Class:triterpene
Source:derivative
Therapeutics:antitussive, antiinflammatory, antibacterial

Found: 95 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [95]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.1105±0
Normalized OD Score: sc h 0.3083±0
Z-Score: -11.2067±0
p-Value: 3.77972e-29
Z-Factor: 0.741134
Fitness Defect: 65.4453
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00091
Plate DMSO Control (-):0.3584±0.02117
Plate Z-Factor:0.7899
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DBLink | Rows returned: 77<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
6604622 (2S,4aR,6aR,6aR,6bR,8aS,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
6857363 (2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
6991992 (2R,4aR,6aS,6aS,6bR,8aS,12aR,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,
14b-dodecahydropicene-2-carboxylate
6991993 (2R,4aR,6aS,6aS,6bR,8aS,12aR,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,
14b-dodecahydropicene-2-carboxylic acid
7067340 (2S,4aR,6aR,6aS,6bR,8aS,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
7067341 (2S,4aR,6aR,6aS,6bR,8aS,10R,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8
a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

internal high similarity DBLink | Rows returned: 13<< Back 1 2 3 Next >> 
NRB 04205 0.9565
NRB 03896 0.9565
NRB 03833 0.9565
NRB 03703 0.9565
NRB 03676 0.9565
NRB 03850 0.9565

active | Cluster 6100 | Additional Members: 5 | Rows returned: 1
SPE01500989 0

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