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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 11
Species: 4932
Condition: VPS1
Replicates: 2
Raw OD Value: r im 0.5486±0.0426385
Normalized OD Score: sc h 0.8873±0.0384799
Z-Score: -4.4896±1.6695
p-Value: 0.000468086
Z-Factor: -16.4461
Fitness Defect: 7.6669
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-10-03 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00068
Plate DMSO Control (-):0.624675±0.13361
Plate Z-Factor:0.2537
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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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