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

Compound InformationSONAR Target prediction
Name:

DIHYDROPTAEROXYLIN

Unique Identifier:SPE00100719
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H16O4
Molecular Weight:244.158 g/mol
X log p:4.714  (online calculus)
Lipinksi Failures0
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1CCc2c(O)c3C(=O)C=C(C)Oc3cc2OC1
Source:mp 84-87; derivative of Ptaeroxylin (00100514)
Reference:Tet Letters 1967: 3459

Found: 455 nonactive | as graph: single | with analogs [1] << Back 451 452 453 454 455 Next >> [455]
Species: 4932
Condition: TFP1
Replicates: 2
Raw OD Value: r im 0.6738±0.00558614
Normalized OD Score: sc h 0.9146±0.00276331
Z-Score: -3.5731±0.0649335
p-Value: 0.000357912
Z-Factor: -1.96413
Fitness Defect: 7.9352
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2007-08-31 YYYY-MM-DD
Plate CH Control (+):0.04195±0.00091
Plate DMSO Control (-):0.702625±0.05279
Plate Z-Factor:0.7612
png
ps
pdf

DBLink | Rows returned: 1
612556

internal high similarity DBLink | Rows returned: 0

active | Cluster 4376 | Additional Members: 4 | Rows returned: 2
SPE00200447 0.542372881355932
SPE00100513 0.419354838709677

Service provided by the Mike Tyers Laboratory