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 1 2 3 4 5 6 7 8 9 10  Next >> [85]
Species: 4932
Condition: SPE01500431
Replicates: 2
Raw OD Value: r im 0.2044±0
Normalized OD Score: sc h 0.7351±0
Z-Score: -5.1095±0
p-Value: 0.000000322942
Z-Factor: 0.56072
Fitness Defect: 14.9458
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.0383±0.00130
Plate DMSO Control (-):0.27805±0.01078
Plate Z-Factor:0.8490
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