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Compound InformationSONAR Target prediction
Name:

OLEANOIC ACID

Unique Identifier:SPE00100550
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:408.319 g/mol
X log p:1.05  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(O)=O
Class:triterpene
Source:leaves of Olea europea and Viscum album L.
Reference:J Chem Soc (C) 1939: 1047

Found: 2 active | as graph: single | with analogs 2 Next >> 
Species: 4932
Condition: MRT4
Replicates: 2
Raw OD Value: r im 0.7079±0.0292742
Normalized OD Score: sc h 1.4544±0.0641849
Z-Score: 15.2491±4.32858
p-Value: 1.7926e-34
Z-Factor: -0.201237
Fitness Defect: 77.7042
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-08-30 YYYY-MM-DD
Plate CH Control (+):0.03949999999999999±0.00059
Plate DMSO Control (-):0.46475±0.05332
Plate Z-Factor:0.4602
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DBLink | Rows returned: 88<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
4483638 n/a
5315137 (1S,4aS,6bR,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
5317098 (4aS,6bR,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-tetradecahyd
ropicene-4a-carboxylic acid
5320274 (4aS,10S,12aS,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetrade
cahydropicene-4a-carboxylic acid
5320335 (4aS,6aS,6bR,12aS,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-
1H-picene-4a-carboxylic acid
6419950 (1S,2R,4aS,6aS,6bR,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

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

nonactive | Cluster 1623 | Additional Members: 8 | Rows returned: 6
SPE00100552 0.4625
SPE01505133 0.342105263157895
SPE01800123 0.328767123287671
SPE00100360 0.304347826086957
SPE01504016 0.256756756756757
SPE00102058 0.246575342465753

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