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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: 200 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [200]
Species: 4932
Condition: SAC3
Replicates: 2
Raw OD Value: r im 0.5096±0.0439113
Normalized OD Score: sc h 0.9880±0.0178835
Z-Score: -0.2431±0.575905
p-Value: 0.692556
Z-Factor: -52.7324
Fitness Defect: 0.3674
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-05-16 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00035
Plate DMSO Control (-):0.505425±0.02415
Plate Z-Factor:0.8466
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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

active | Cluster 5360 | Additional Members: 5 | Rows returned: 3
SPE00201185 0.307692307692308
SPE00240645 0.288461538461538
SPE00201312 0

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