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

Compound InformationSONAR Target prediction
Name:

ALPINETIN METHYL ETHER

Unique Identifier:SPE01500733
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H16O4
Molecular Weight:268.18 g/mol
X log p:15.422  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(OC)c2C(=O)CC(Oc2c1)c1ccccc1
Source:ex Eucalyptus spp

Found: 114 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [114]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8440±0.0259508
Normalized OD Score: sc h 0.9573±0.00260642
Z-Score: -1.3229±0.0275407
p-Value: 0.185962
Z-Factor: 0.067172
Fitness Defect: 1.6822
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:18|B8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09075±0.00653
Plate DMSO Control (-):0.964±0.02179
Plate Z-Factor:0.8749
png
ps
pdf

DBLink | Rows returned: 3
378567 5,7-dimethoxy-2-phenyl-chroman-4-one
689011 (2S)-5,7-dimethoxy-2-phenyl-chroman-4-one
689012 (2R)-5,7-dimethoxy-2-phenyl-chroman-4-one

internal high similarity DBLink | Rows returned: 112 Next >> 
JFD 00170 0.9055
BTB 12807 0.9104
SPE00310012 0.9104
JFD 00173 0.9167
JFD 00172 0.9440
SPE01500746 0.9449

active | Cluster 815 | Additional Members: 5 | Rows returned: 0

Service provided by the Mike Tyers Laboratory