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Compound InformationSONAR Target prediction
Name:

OLEANANOIC ACID ACETATE

Unique Identifier:SPE00240871
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C32H52O4
Molecular Weight:448.34 g/mol
X log p:0.014  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(CCC23C)C(O)=O)C1(C)C
Source:ex Machaerium kuhlmannii and Helichrysum chrysargyrum
Reference:Phytochemistry 18: 1375 (1979)

Found: 101 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.6436±0.00219203
Normalized OD Score: sc h 1.1473±0.0370275
Z-Score: 2.3622±0.480043
p-Value: 0.0249978
Z-Factor: -0.241147
Fitness Defect: 3.689
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00117
Plate DMSO Control (-):0.61475±0.01562
Plate Z-Factor:0.8810
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DBLink | Rows returned: 291[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [49]
540068 methyl 7-acetyloxytetradecanoate
540361 methyl 9-acetyloxyhexadecanoate
540509 methyl 8-acetyloxyicosanoate
540513 [10,13-dimethyl-17-(3-oxobutan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate
540518 methyl 8-acetyloxytetradecanoate
540711 methyl 10-acetyloxyoctadecanoate

internal high similarity DBLink | Rows returned: 101 2 Next >> 
NRB 01759 0.9231
NRB 01694 0.9444
BTB 14978 0.9474
BTBG 00067 0.9474
NRB 02502 0.9730
NRB 03739 0.9730

active | Cluster 9057 | Additional Members: 1 | Rows returned: 0
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