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Compound InformationSONAR Target prediction
Name:

ROBINETIN TRIMETHYL ETHER

Unique Identifier:SPE01500732
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O7
Molecular Weight:328.188 g/mol
X log p:12.149  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:COc1cc(cc(OC)c1OC)C1Oc2cc(O)ccc2C(=O)C=1O
Source:derivative

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6892±0.00749533
Normalized OD Score: sc h 0.9843±0.00743374
Z-Score: -0.3088±0.15073
p-Value: 0.75878
Z-Factor: -4.19673
Fitness Defect: 0.276
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.038±0.00119
Plate DMSO Control (-):0.707±0.03042
Plate Z-Factor:0.8767
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DBLink | Rows returned: 2
265724 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one
6250403 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 112 Next >> 
SPE01600075 0.9091
RJC 01624 0.9106
NRB 00325 0.9176
LOPAC 01061 0.9419
SPE01504065 0.9419
SPE01500672 0.9419

active | Cluster 15563 | Additional Members: 8 | Rows returned: 3
SPE01504130 0.375
SPE01505149 0.288461538461538
SPE01502247 0

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