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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 81 82 83 84 85 86 87 88 89 90  Next >> [201]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.5428±0.00169706
Normalized OD Score: sc h 0.7740±0.00228981
Z-Score: -11.3333±0.330162
p-Value: 6.31572e-29
Z-Factor: 0.559155
Fitness Defect: 64.9319
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00075
Plate DMSO Control (-):0.689375±0.02110
Plate Z-Factor:0.9223
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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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