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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 51 52 53 54 55 56 57 58 59 60  Next >> [201]
Species: 4932
Condition: PEP5
Replicates: 2
Raw OD Value: r im 0.2142±0.0224153
Normalized OD Score: sc h 0.3107±0.0322896
Z-Score: -38.1971±0.939712
p-Value: 0
Z-Factor: 0.762007
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.048424999999999996±0.00120
Plate DMSO Control (-):0.6791±0.01524
Plate Z-Factor:0.9317
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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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