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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 2 3 Next >> 
Species: 4932
Condition: MAD1
Replicates: 2
Raw OD Value: r im 0.9380±0.0583363
Normalized OD Score: sc h 1.2773±0.0145436
Z-Score: 15.9026±1.65554
p-Value: 0
Z-Factor: -0.145873
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2007-10-05 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00108
Plate DMSO Control (-):0.729675±0.06337
Plate Z-Factor:0.7189
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DBLink | Rows returned: 88<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
470665 (4aS,6aS,6bR,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-pi
cene-4a-carboxylic acid
484615 (1S,2R,4aS,6aS,6aS,6bR,8aS,12aS,14bR)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxo-2,3,4,5,6,7,8,8a,11,12,13,1
4b-dodecahydro-1H-picene-4a-carboxylic acid
485185 (1S,2R,4aS,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,10,11
,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
485707 (4aS,6aS,6bR,10R,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetr
adecahydropicene-4a-carboxylic acid
485708 (1S,4aR,4bS,6aS)-1-(2-carboxyethyl)-1,4a,4b,9,9-pentamethyl-2-propan-2-yl-3,4,5,6,7,8,10,10a,12,12a-deca
hydro-2H-chrysene-6a-carboxylic acid
510095 (1S,2R,4aS,6bR,10R,12aS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-h
exadecahydropicene-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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