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

Compound InformationSONAR Target prediction
Name:

PRUNETIN

Unique Identifier:SPE01500726
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:15.09  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1cc(O)c2C(=O)C(=COc2c1)c1ccc(O)cc1
Source:ex Prunus spp

Found: 45 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [45]
Species: 4932
Condition: CHS5
Replicates: 2
Raw OD Value: r im 0.6639±0.0208596
Normalized OD Score: sc h 0.8716±0.0206133
Z-Score: -6.2415±1.16688
p-Value: 0.0000000304062
Z-Factor: 0.0950703
Fitness Defect: 17.3086
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039525000000000005±0.00109
Plate DMSO Control (-):0.740075±0.01290
Plate Z-Factor:0.9421
png
ps
pdf

DBLink | Rows returned: 2
5281804 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
5386259 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
RJC 00206 0.9587
SPE00200789 0.9669
LOPAC 00426 0.9669
SPE00240565 0.9752
BTB 12549 0.9752
SPE00102007 0.9752

active | Cluster 14679 | Additional Members: 9 | Rows returned: 4
SPE00210296 0.269230769230769
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059
SPE10100003 0

Service provided by the Mike Tyers Laboratory