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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: 203 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [203]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7310±0.00169706
Normalized OD Score: sc h 1.0197±0.00622441
Z-Score: 1.0720±0.354312
p-Value: 0.298662
Z-Factor: -11.5899
Fitness Defect: 1.2084
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00025
Plate DMSO Control (-):0.69275±0.12390
Plate Z-Factor:0.4147
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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: 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 1623 | Additional Members: 8 | Rows returned: 4
SPE01505133 0.342105263157895
SPE01800123 0.328767123287671
SPE01504016 0.256756756756757
SPE00102058 0.246575342465753

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