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Compound InformationSONAR Target prediction
Name:

LIQUIRITIGENIN DIMETHYL ETHER

Unique Identifier:SPE01600561
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:15.422  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1CC(=O)c2ccc(OC)cc2O1
Class:flavan
Source:Holocarpha obconica
Reference:Phytochemistry 11:3515 (1972); 15:226 (1976); 26:2128 (1987)

Found: 144 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [144]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6620±0.00183848
Normalized OD Score: sc h 0.9509±0.000212536
Z-Score: -2.6705±0.0518103
p-Value: 0.00761414
Z-Factor: -1.20348
Fitness Defect: 4.8777
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00052
Plate DMSO Control (-):0.687425±0.02326
Plate Z-Factor:0.8902
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DBLink | Rows returned: 1
5271544 7-methoxy-2-(4-methoxyphenyl)chroman-4-one

internal high similarity DBLink | Rows returned: 141 2 3 Next >> 
BTB 13717 0.9024
SPE00200343 0.9024
RJC 01638 0.9055
SPE00310012 0.9242
BTB 12807 0.9242
JFD 00173 0.9308

active | Cluster 15505 | Additional Members: 2 | Rows returned: 0
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