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

Compound InformationSONAR Target prediction
Name:

4,4--DIMETHOXYDALBERGIONE

Unique Identifier:SPE00201448
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:14.879  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1ccc(cc1)C(C=C)c1cc(=O)c(OC)cc1=O
Class:quinone
Source:Dalbergia nigra
Reference:Tetrahedron 21: 2683 (1965)

Found: 113 active | as graph: single | with analogs [1] << Back 111 112 113 Next >> [113]
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.1999±0.0170413
Normalized OD Score: sc h 0.4159±0.0173849
Z-Score: -10.5320±0.319967
p-Value: 3.34548e-25
Z-Factor: 0.713582
Fitness Defect: 56.357
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00359
Plate DMSO Control (-):0.440925±0.01662
Plate Z-Factor:0.8719
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2012 | Additional Members: 3 | Rows returned: 2
SPE00200798 0.24
SPE00201092 0.234042553191489

Service provided by the Mike Tyers Laboratory