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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 >> 
6454401 (1S,2R,4aS,6aS,6aS,6bR,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14
b-tetradecahydropicene-4a-carboxylic acid
6476239 (E,8S)-2-butyl-10-hydroxy-4,8-dimethyl-dec-4-enoic acid
6476240 (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yl-dec-4-enoic acid
6476241 (E,8S)-2-hexyl-10-hydroxy-4,8-dimethyl-dec-4-enoic acid
6563072 (4aR,6aR,6aS,6bR,8aR,10S,12aR,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-carboxylate
6563073 (4aR,6aR,6aS,6bR,8aR,10S,12aR,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

internal high similarity DBLink | Rows returned: 8<< Back 1 2
SPE01504016 0.9778
SPE01800031 1.0000

active | Cluster 1623 | Additional Members: 8 | Rows returned: 4
SPE01505133 0.342105263157895
SPE01800123 0.328767123287671
SPE01504016 0.256756756756757
SPE00102058 0.246575342465753

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