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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] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [95]
Species: 4932
Condition: SPE01501010
Replicates: 2
Raw OD Value: r im 0.5159±0.0296985
Normalized OD Score: sc h 0.7676±0.0444384
Z-Score: -10.1554±0.494905
p-Value: 5.33728e-23
Z-Factor: -0.0808357
Fitness Defect: 51.2847
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-01-05 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00302
Plate DMSO Control (-):0.6691499999999999±0.03264
Plate Z-Factor:0.8321
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DBLink | Rows returned: 772 3 4 5 6 7 8 9 10  Next >> 
3230 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-
carboxylic acid
10114 (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-carboxylic acid
73398 (2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bS)-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
111253 (2S,4aR,6aS,6aS,6bR,8aS,12aS,14bR)-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
112111 (2R,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-carboxylic acid
125828 (2R,4aR,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10
,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

internal high similarity DBLink | Rows returned: 13<< Back 1 2 3
SPE01500989 1.0000

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

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