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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: TIF3
Replicates: 2
Raw OD Value: r im 0.6160±0.0100409
Normalized OD Score: sc h 0.9853±0.015689
Z-Score: -0.7003±0.756683
p-Value: 0.542704
Z-Factor: -155.315
Fitness Defect: 0.6112
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.041749999999999995±0.00118
Plate DMSO Control (-):0.6187499999999999±0.04155
Plate Z-Factor:0.7553
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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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