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

Compound InformationSONAR Target prediction
Name:

XANTHOXYLIN

Unique Identifier:SPE00200441
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:184.105 g/mol
X log p:5.11  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(O)c(C(C)=O)c(OC)c1
Class:aromatic
Source:Xanthoxylium spp, Artemisia brevifolia

Found: 203 nonactive | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [203]
Species: 4932
Condition: RSC2
Replicates: 2
Raw OD Value: r im 0.3624±0.011243
Normalized OD Score: sc h 1.0121±0.0173869
Z-Score: 0.3243±0.4824
p-Value: 0.74619
Z-Factor: -37.8082
Fitness Defect: 0.2928
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-12-12 YYYY-MM-DD
Plate CH Control (+):0.04305±0.00069
Plate DMSO Control (-):0.343675±0.01367
Plate Z-Factor:0.8850
png
ps
pdf

DBLink | Rows returned: 3
66654 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone
70016 1-(2,4-dimethoxyphenyl)ethanone
123089 1-(2,4,6-trimethoxyphenyl)ethanone

internal high similarity DBLink | Rows returned: 1
SPE01400156 0.9434

active | Cluster 9714 | Additional Members: 6 | Rows returned: 4
SPE01505153 0.551724137931034
SPE00201610 0.527272727272727
SPE00201727 0.487179487179487
SPE00201081 0.458333333333333

Service provided by the Mike Tyers Laboratory