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

Compound InformationSONAR Target prediction
Name:

4-METHOXYDALBERGIONE

Unique Identifier:SPE00201092
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:240.169 g/mol
X log p:16.544  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:COc1cc(=O)c(cc1=O)C(C=C)c1ccccc1
Class:quinone
Source:Dalbergia retusa and D. nigra
Reference:Phytochemistry 17: 1395 (1978); Tetrahedron 21: 2683 (1965)

Found: 443 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [443]
Species: 4932
Condition: SPE01503222
Replicates: 2
Raw OD Value: r im 0.5641±0.0193747
Normalized OD Score: sc h 0.9892±0.00453682
Z-Score: -0.4805±0.173788
p-Value: 0.633438
Z-Factor: -6.33111
Fitness Defect: 0.4566
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.038825±0.00165
Plate DMSO Control (-):0.5862±0.01729
Plate Z-Factor:0.9054
png
ps
pdf

DBLink | Rows returned: 1
99926 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 2012 | Additional Members: 3 | Rows returned: 1
SPE00201448 0

Service provided by the Mike Tyers Laboratory