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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: 78 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [78]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.5438±0.018809
Normalized OD Score: sc h 0.7817±0.023234
Z-Score: -8.1847±0.976098
p-Value: 0.000000000000033279
Z-Factor: 0.450396
Fitness Defect: 31.0338
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2006-04-12 YYYY-MM-DD
Plate CH Control (+):0.039175±0.00214
Plate DMSO Control (-):0.676725±0.01096
Plate Z-Factor:0.9425
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DBLink | Rows returned: 1
5271544 7-methoxy-2-(4-methoxyphenyl)chroman-4-one

internal high similarity DBLink | Rows returned: 14<< Back 1 2 3
JFD 01216 0.9685
NRB 00919 0.9837

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