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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 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7581±0.0394566
Normalized OD Score: sc h 0.9935±0.0003671
Z-Score: -0.3752±0.0641004
p-Value: 0.70782
Z-Factor: -20.0316
Fitness Defect: 0.3456
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.0422±0.00513
Plate DMSO Control (-):0.7523500000000001±0.06504
Plate Z-Factor:0.6628
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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

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

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