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Compound InformationSONAR Target prediction
Name:

ISOTECTORIGENIN TRIMETHYL ETHER

Unique Identifier:SPE00201341
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H18O6
Molecular Weight:324.2 g/mol
X log p:14.131  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:5
Canonical Smiles:COc1ccc(cc1)C1=COc2c(OC)c(OC)cc(OC)c2C1=O
Source:parent ex Dalbergia spp, Millettia auriculata

Found: 101 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [101]
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.2849±0.0289207
Normalized OD Score: sc h 0.8295±0.0071116
Z-Score: -1.6967±0.106315
p-Value: 0.0906616
Z-Factor: -0.853312
Fitness Defect: 2.4006
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2006-01-20 YYYY-MM-DD
Plate CH Control (+):0.043775±0.00220
Plate DMSO Control (-):0.413725±0.04833
Plate Z-Factor:0.5811
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DBLink | Rows returned: 2
253929 5,6,7,8-tetramethoxy-3-(4-methoxyphenyl)chromen-4-one
3279840 5,7,8-trimethoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 5
SPE00240645 0.9143
SPE00200873 0.9252
SPE00201185 0.9571
SPE00201312 0.9643
SPE00200139 0.9857

active | Cluster 5360 | Additional Members: 5 | Rows returned: 4
SPE00200139 0.440677966101695
SPE00201185 0.307692307692308
SPE00240645 0.288461538461538
SPE00201312 0

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