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Compound InformationSONAR Target prediction
Name:

DIOSMETIN

Unique Identifier:SPE01504068
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O6
Molecular Weight:288.168 g/mol
X log p:13.032  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1ccc(cc1O)C1Oc2cc(O)cc(O)c2C(=O)C=1
Source:ex Valeriana, Digitalis spp
Reference:J Indian Chem Soc 31: 565 (1954)

Found: 112 nonactive | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [112]
Species: 4932
Condition: PPZ1
Replicates: 2
Raw OD Value: r im 0.7668±0.00572756
Normalized OD Score: sc h 0.9913±0.00340622
Z-Score: -0.4416±0.186026
p-Value: 0.661516
Z-Factor: -5.22854
Fitness Defect: 0.4132
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-05-17 YYYY-MM-DD
Plate CH Control (+):0.037599999999999995±0.00206
Plate DMSO Control (-):0.74945±0.01106
Plate Z-Factor:0.9397
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DBLink | Rows returned: 2
5281612 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
5491353 2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chromen-4-one

internal high similarity DBLink | Rows returned: 182 3 Next >> 
SPE01504002 0.9007
BTB 13710 0.9054
SPE01500739 0.9067
SPE00211227 0.9067
SPE01500709 0.9116
JFD 02379 0.9189

active | Cluster 13276 | Additional Members: 6 | Rows returned: 1
SPE01500731 0.327868852459016

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