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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: 2 active | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7297±0.0455377
Normalized OD Score: sc h 0.9127±0.0274447
Z-Score: -4.9219±0.999275
p-Value: 0.0000124802
Z-Factor: -1.14966
Fitness Defect: 11.2914
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.041575±0.00084
Plate DMSO Control (-):0.766125±0.04177
Plate Z-Factor:0.8905
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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: 18<< Back 1 2 3
SPE01500731 0.9363
SPE01500724 0.9392
SPE00200499 0.9456
BTB 14496 0.9539
LOPAC 01016 0.9796
SPE01504115 0.9796

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

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