Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 21 22 23 24 25 26 27 28 29 30  Next >> [85]
Species: 4932
Condition: MCM21
Replicates: 2
Raw OD Value: r im 0.5954±0.00671751
Normalized OD Score: sc h 0.8934±0.0108429
Z-Score: -5.2221±0.25232
p-Value: 0.000000261556
Z-Factor: -7.87459
Fitness Defect: 15.1566
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-11-07 YYYY-MM-DD
Plate CH Control (+):0.0413±0.00385
Plate DMSO Control (-):0.659775±0.11736
Plate Z-Factor:0.3780
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory