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Compound InformationSONAR Target prediction
Name:

EPIGALLOCATECHIN OCTAMETHYL ETHER

Unique Identifier:SPE00211477
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H34O11
Molecular Weight:536.314 g/mol
X log p:16.175  (online calculus)
Lipinksi Failures3
TPSA109.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:12
Canonical Smiles:COc1cc(OC)c2CC(OC(=O)c3cc(OC)c(OC)c(OC)c3)C(Oc2c1)c1cc(OC)c(OC)c(OC)c1
Source:derivative ex green tea

Found: 101 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: RNR3
Replicates: 2
Raw OD Value: r im 0.7314±0.000494975
Normalized OD Score: sc h 0.9970±0.000225984
Z-Score: -0.0914±0.0153336
p-Value: 0.92718
Z-Factor: -16.6614
Fitness Defect: 0.0756
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00117
Plate DMSO Control (-):0.725375±0.01614
Plate Z-Factor:0.9138
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DBLink | Rows returned: 2
3598211 [5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl] 3,4,5-trimethoxybenzoate
6708757 [(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl] 3,4,5-trimethoxybenzoate

internal high similarity DBLink | Rows returned: 4
SPE00201513 0.9061
NRB 00335 0.9253
SPE00210238 0.9253
SPE00210239 0.9253

active | Cluster 8942 | Additional Members: 11 | Rows returned: 82 Next >> 
SPE00241155 0.443181818181818
SPE00210242 0.443181818181818
SPE00201515 0.402439024390244
SPE00201506 0.364864864864865
SPE00201507 0.287878787878788
SPE00201513 0.242424242424242

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