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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: 90 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [90]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.7675±0.00381838
Normalized OD Score: sc h 0.9754±0.00702126
Z-Score: -0.6693±0.213533
p-Value: 0.508138
Z-Factor: -2.58304
Fitness Defect: 0.677
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00162
Plate DMSO Control (-):0.78825±0.01313
Plate Z-Factor:0.9555
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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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