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: 525 nonactive | as graph: single | with analogs [1] << Back 471 472 473 474 475 476 477 478 479 480  Next >> [525]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5167±0.0363453
Normalized OD Score: sc h 0.8115±0.0233366
Z-Score: -3.9539±0.15453
p-Value: 0.0000845584
Z-Factor: 0.249896
Fitness Defect: 9.3781
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038599999999999995±0.00238
Plate DMSO Control (-):0.620525±0.01476
Plate Z-Factor:0.9154
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2012 | Additional Members: 3 | Rows returned: 1
SPE00201092 0.234042553191489

Service provided by the Mike Tyers Laboratory