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Compound InformationSONAR Target prediction
Name:

ORSELLINIC ACID, ETHYL ESTER

Unique Identifier:SPE00200002
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:184.105 g/mol
X log p:4.757  (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)cc1O
Class:aromatic
Source:Roccella and Lecanora lichens
Reference:J Org Chem 30: 3566 (1965)

Found: 545 nonactive | as graph: single | with analogs [1] << Back 511 512 513 514 515 516 517 518 519 520  Next >> [545]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.6524±0.0164049
Normalized OD Score: sc h 0.9309±0.0159554
Z-Score: -2.9654±0.669868
p-Value: 0.00664724
Z-Factor: -0.699867
Fitness Defect: 5.0136
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.040624999999999994±0.00071
Plate DMSO Control (-):0.6806000000000001±0.01436
Plate Z-Factor:0.9346
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DBLink | Rows returned: 1
75653 ethyl 2,4-dihydroxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00210072 0.9155

active | Cluster 13178 | Additional Members: 8 | Rows returned: 2
SPE00210072 0.478260869565217
SPE00200061 0.471698113207547

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