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Compound InformationSONAR Target prediction
Name:

METHYLORSELLINIC ACID, ETHYL ESTER

Unique Identifier:SPE00210072
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H14O4
Molecular Weight:196.115 g/mol
X log p:2.734  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CCOC(=O)c1c(C)cc(O)c(C)c1O
Source:ex Aspergillus silvaticus
Reference:Helv Chim Acta 11: 864 (1928)

Found: 11 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: ARX1
Replicates: 2
Raw OD Value: r im 0.6135±0.0301227
Normalized OD Score: sc h 0.9006±0.0206537
Z-Score: -4.8600±0.603512
p-Value: 0.00000470448
Z-Factor: -8.22325
Fitness Defect: 12.267
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-10-11 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00056
Plate DMSO Control (-):0.6714249999999999±0.10172
Plate Z-Factor:0.4666
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DBLink | Rows returned: 1
3084545 ethyl 2,4-dihydroxy-3,6-dimethyl-benzoate

internal high similarity DBLink | Rows returned: 2
SPE00200002 0.9155
SPE00205071 0.9467

active | Cluster 13178 | Additional Members: 8 | Rows returned: 2
SPE00200061 0.471698113207547
SPE00200002 0

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