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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 521 522 523 524 525 526 527 528 529 530  Next >> [545]
Species: 4932
Condition: SSB2
Replicates: 2
Raw OD Value: r im 0.6679±0.0039598
Normalized OD Score: sc h 0.9704±0.00524517
Z-Score: -1.6270±0.29228
p-Value: 0.111099
Z-Factor: -1.82779
Fitness Defect: 2.1973
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-05-29 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00086
Plate DMSO Control (-):0.6802250000000001±0.01564
Plate Z-Factor:0.9260
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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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