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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 11 12 13 14 15 16 17 18 19 20  Next >> [101]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.6734±0.00558614
Normalized OD Score: sc h 1.0076±0.0266293
Z-Score: 0.2776±1.05536
p-Value: 0.47261
Z-Factor: -8.26741
Fitness Defect: 0.7495
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:2007-09-25 YYYY-MM-DD
Plate CH Control (+):0.039625±0.00079
Plate DMSO Control (-):0.659925±0.13285
Plate Z-Factor:0.2757
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DBLink | Rows returned: 291[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [49]
634099 (10,13-dimethyl-12-oxo-17-pentan-2-yl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenan
thren-3-yl) acetate
634592 n/a
634611 n/a
634975 (10,13-dimethyl-17-octan-2-yl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-3-yl) acetate
635199 [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthren-3-yl] acetate
637624 [(3S,5S,8R,9S,10S,13R,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro
-1H-cyclopenta[a]phenanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 102 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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