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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 << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: RVS167
Replicates: 2
Raw OD Value: r im 0.6658±0.00742462
Normalized OD Score: sc h 0.9159±0.0015029
Z-Score: -4.6771±0.0853105
p-Value: 0.00000303094
Z-Factor: -13.0348
Fitness Defect: 12.7066
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-11-14 YYYY-MM-DD
Plate CH Control (+):0.040875±0.00038
Plate DMSO Control (-):0.72635±0.12360
Plate Z-Factor:0.4311
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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

nonactive | Cluster 13178 | Additional Members: 8 | Rows returned: 6
SPE00200070 0.490566037735849
SPE00200061 0.471698113207547
SPE00300001 0.463414634146341
SPE00210925 0.307692307692308
SPE00200002 0
LAT001D03 0

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