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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 181 182 183 184 185 186 187 188 189 190  Next >> [201]
Species: 4932
Condition: SPO22
Replicates: 2
Raw OD Value: r im 0.0709±0.00537401
Normalized OD Score: sc h 0.2111±0.0151792
Z-Score: -9.6758±0.32051
p-Value: 1.72759e-21
Z-Factor: 0.72141
Fitness Defect: 47.8076
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-05-12 YYYY-MM-DD
Plate CH Control (+):0.038900000000000004±0.00051
Plate DMSO Control (-):0.3236±0.01849
Plate Z-Factor:0.7935
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DBLink | Rows returned: 1
3940691 ethyl 3-formyl-2,4-dihydroxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00210072 0.9467

active | Cluster 3139 | Additional Members: 3 | Rows returned: 1
SPE01400131 0

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