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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: 85 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [85]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.7499±0.00106066
Normalized OD Score: sc h 0.9199±0.00174072
Z-Score: -4.5131±0.174219
p-Value: 0.000007445
Z-Factor: 0.200787
Fitness Defect: 11.808
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.03835±0.00098
Plate DMSO Control (-):0.787±0.01574
Plate Z-Factor:0.9347
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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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