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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 441 442 443 444 445 446 447 448 449 450  Next >> [545]
Species: 4932
Condition: POL32
Replicates: 2
Raw OD Value: r im 0.5380±0.0371231
Normalized OD Score: sc h 0.9653±0.0396034
Z-Score: -0.9669±1.10477
p-Value: 0.466542
Z-Factor: -7.24549
Fitness Defect: 0.7624
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.80 Celcius
Date:2006-02-16 YYYY-MM-DD
Plate CH Control (+):0.039375±0.00055
Plate DMSO Control (-):0.5645249999999999±0.02470
Plate Z-Factor:0.8674
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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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