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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] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [144]
Species: 4932
Condition: DBP3
Replicates: 2
Raw OD Value: r im 0.6865±0.0204354
Normalized OD Score: sc h 0.9578±0.0186099
Z-Score: -2.2089±1.04723
p-Value: 0.072584
Z-Factor: -5.36759
Fitness Defect: 2.623
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-09-13 YYYY-MM-DD
Plate CH Control (+):0.03995±0.00060
Plate DMSO Control (-):0.7067±0.03388
Plate Z-Factor:0.8180
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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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