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Compound InformationSONAR Target prediction
Name:

ISOTECTORIGENIN, 7-METHYL ETHER

Unique Identifier:SPE00200139
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:312.189 g/mol
X log p:13.778  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C1=COc2c(OC)c(OC)cc(O)c2C1=O
Class:isoflavone
Source:Dalbergia spp

Found: 5 active | as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.5438±0.016122
Normalized OD Score: sc h 0.9027±0.0199351
Z-Score: -4.1097±0.524372
p-Value: 0.000096126
Z-Factor: -1.08562
Fitness Defect: 9.2499
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00271
Plate DMSO Control (-):0.597225±0.02547
Plate Z-Factor:0.8450
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DBLink | Rows returned: 1
6708795 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 5
SPE00200873 0.9116
SPE00240645 0.9275
SPE00201185 0.9710
SPE00201312 0.9783
SPE00201341 0.9857

nonactive | Cluster 5360 | Additional Members: 5 | Rows returned: 4
SPE00201341 0.388888888888889
SPE00201185 0.307692307692308
SPE00240645 0.288461538461538
SPE00201312 0

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