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Compound InformationSONAR Target prediction
Name:

URSOLIC ACID

Unique Identifier:SPE01800031
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:408.319 g/mol
X log p:1.367  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(O)=O
Class:triterpene
Source:Rhododendron spp, Epigaea asiatica, surface wax of fruits
Reference:Phytochemistry 10:3279 (1971)
Therapeutics:diuretic, antineoplastic, antiulcer

Found: 3 active | as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 1.0082±0.0583363
Normalized OD Score: sc h 1.3309±0.140839
Z-Score: 19.4654±10.2731
p-Value: 1.53025e-34
Z-Factor: -1.10067
Fitness Defect: 77.8625
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.0422±0.00513
Plate DMSO Control (-):0.7523500000000001±0.06504
Plate Z-Factor:0.6628
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DBLink | Rows returned: 882 3 4 5 6 7 8 9 10  Next >> 
10494 (4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,1
2,13,14b-tetradecahydropicene-4a-carboxylic acid
64945 (1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,1
0,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
191718 (1S,2R,4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11
,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;
(4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13
,14b-tetradecahydropicene-4a-carboxylic acid
191719 (1S,2R,4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11
,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
191720 (4aS,6aS,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13
,14b-tetradecahydropicene-4a-carboxylic acid
220774 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a
-carboxylic acid

internal high similarity DBLink | Rows returned: 8<< Back 1 2
SPE01504016 0.9778
SPE00100550 1.0000

active | Cluster 1869 | Additional Members: 9 | Rows returned: 3
SPE00307045 0.452380952380952
SPE01505250 0.417721518987342
SPE01505175 0.324324324324324

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