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

Compound InformationSONAR Target prediction
Name:

HAEMATOMMIC ACID, ETHYL ESTER

Unique Identifier:SPE00205071
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:212.115 g/mol
X log p:5.229  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CCOC(=O)c1c(C)cc(O)c(C=O)c1O
Class:aromatic
Source:various lichens, e.g. Evernia spp, Parmelia spp
Reference:J Org Chem 42: 2526 (1977); Helv Chim Acta 72: 1061 (1989)

Found: 201 active | as graph: single | with analogs [1] << Back 141 142 143 144 145 146 147 148 149 150  Next >> [201]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.0955±0.00721249
Normalized OD Score: sc h 0.1714±0.00569837
Z-Score: -14.0300±1.17263
p-Value: 4.34007e-40
Z-Factor: 0.80573
Fitness Defect: 90.6355
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-02-08 YYYY-MM-DD
Plate CH Control (+):0.03945±0.00137
Plate DMSO Control (-):0.522025±0.02532
Plate Z-Factor:0.8397
png
ps
pdf

DBLink | Rows returned: 1
3940691 ethyl 3-formyl-2,4-dihydroxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00210072 0.9467

nonactive | Cluster 3139 | Additional Members: 3 | Rows returned: 2
SPE00200640 0.5
SPE01400131 0

Service provided by the Mike Tyers Laboratory