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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 71 72 73 74 75 76 77 78 Next >> [78]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.6314±0.0072832
Normalized OD Score: sc h 0.8984±0.00347394
Z-Score: -4.8937±0.0842248
p-Value: 0.00000103331
Z-Factor: 0.248372
Fitness Defect: 13.7827
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.040725±0.00111
Plate DMSO Control (-):0.68125±0.01529
Plate Z-Factor:0.9263
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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 Next >> 
SPE01500908 0.9350
SPE01504154 0.9440
JFD 00170 0.9512
SPE01500733 0.9528
JFD 00172 0.9593
SPE01500746 0.9600

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