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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 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.8004±0.02786
Normalized OD Score: sc h 0.9929±0.010481
Z-Score: -0.3710±0.555176
p-Value: 0.713958
Z-Factor: -47.7017
Fitness Defect: 0.3369
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00113
Plate DMSO Control (-):0.7719±0.14444
Plate Z-Factor:0.3870
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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

nonactive | 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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