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 321 322 323 324 325 326 327 328 329 330  Next >> [443]
Species: 4932
Condition: ARD1
Replicates: 2
Raw OD Value: r im 0.3357±0.0111723
Normalized OD Score: sc h 0.8757±0.0304323
Z-Score: -3.2143±0.839088
p-Value: 0.00445368
Z-Factor: -0.613897
Fitness Defect: 5.414
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-07-10 YYYY-MM-DD
Plate CH Control (+):0.041±0.00107
Plate DMSO Control (-):0.356775±0.01498
Plate Z-Factor:0.8574
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