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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 61 62 63 64 65 66 67 68 69 70  Next >> [85]
Species: 4932
Condition: HHF1
Replicates: 2
Raw OD Value: r im 0.6043±0.0101116
Normalized OD Score: sc h 0.8962±0.0149369
Z-Score: -4.4987±0.444024
p-Value: 0.0000150173
Z-Factor: -0.488235
Fitness Defect: 11.1063
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-04-15 YYYY-MM-DD
Plate CH Control (+):0.040925±0.00063
Plate DMSO Control (-):0.6696249999999999±0.02510
Plate Z-Factor:0.8786
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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

nonactive | Cluster 13178 | Additional Members: 8 | Rows returned: 6
SPE00200070 0.490566037735849
SPE00210072 0.478260869565217
SPE00200061 0.471698113207547
SPE00300001 0.463414634146341
SPE00210925 0.307692307692308
LAT001D03 0

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