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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 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6434±0.00502046
Normalized OD Score: sc h 0.9848±0.00024217
Z-Score: -0.8209±0.046999
p-Value: 0.411958
Z-Factor: -2.57104
Fitness Defect: 0.8868
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00154
Plate DMSO Control (-):0.620925±0.01362
Plate Z-Factor:0.9283
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DBLink | Rows returned: 291[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [49]
4373583 (3-ethyl-10,13-dimethyl-17-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl
) acetate
4374809 (10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)
acetate
4392334 (10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)
acetate
4394803 methyl
10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-p
icene-4a-carboxylate
4394804 10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-p
icene-4a-carboxylic acid
4400434 methyl
2-(3-acetyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[
a]phenanthren-17-yl)propanoate

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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