Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 2 3 4 5 6 7 8 9 10  Next >> [112]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.7100±0.0168291
Normalized OD Score: sc h 0.9700±0.00924935
Z-Score: -1.1001±0.161296
p-Value: 0.274414
Z-Factor: -1.91038
Fitness Defect: 1.2931
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|G10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08574999999999999±0.00315
Plate DMSO Control (-):0.7462500000000001±0.02138
Plate Z-Factor:0.8571
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory