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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: 202 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [202]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6870±0.0026163
Normalized OD Score: sc h 0.9874±0.00632906
Z-Score: -0.6893±0.354226
p-Value: 0.504064
Z-Factor: -11.2361
Fitness Defect: 0.6851
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00052
Plate DMSO Control (-):0.687425±0.02326
Plate Z-Factor:0.8902
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DBLink | Rows returned: 88<< Back 11 12 13 14 15 Next >> 
7067305 (4aR,6aR,6aR,6bS,8aS,10S,12aS,14bS)-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-carboxylate
7067306 (4aR,6aR,6aR,6bS,8aS,10S,12aS,14bS)-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
7067307 (1S,2R,4aS,6aS,6aR,6bS,8aS,10S,12aS,14bS)-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-carboxylate
7067308 (1S,2R,4aS,6aS,6aR,6bS,8aS,10S,12aS,14bS)-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
7067309 (1S,2S,4aS,6aS,6aR,6bS,8aS,10S,12aS,14bS)-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-carboxylate
7067310 (1S,2S,4aS,6aS,6aR,6bS,8aS,10S,12aS,14bS)-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

internal high similarity DBLink | Rows returned: 82 Next >> 
LOPAC 01105 0.9091
SPE00310016 0.9091
SPE01500856 0.9091
SPE01800123 0.9362
BTB 12713 0.9565
RH 02006 0.9565

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

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