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

Compound InformationSONAR Target prediction
Name:

PTAEROXYLIN

Unique Identifier:SPE00100513
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:6.787  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1COc2cc3OC(C)=CC(=O)c3c(O)c2CC=1
Class:chromone
Source:Ptaeroxylon obliquum, Cedrelopsis grevei
Reference:J Chem Soc (C) 1966:114; 1967:145; Tet Lett 1967:3459

Found: 577 nonactive | as graph: single | with analogs [1] << Back 541 542 543 544 545 546 547 548 549 550  Next >> [577]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.2439±0.0359917
Normalized OD Score: sc h 0.6514±0.0358006
Z-Score: -3.5460±0.334575
p-Value: 0.00054502
Z-Factor: -0.118095
Fitness Defect: 7.5147
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.385375±0.02327
Plate DMSO Control (-):0.427175±0.03997
Plate Z-Factor:-1.4677
png
ps
pdf

DBLink | Rows returned: 1
3646533

internal high similarity DBLink | Rows returned: 0

active | Cluster 4376 | Additional Members: 4 | Rows returned: 2
SPE00200447 0.542372881355932
SPE00100719 0

Service provided by the Mike Tyers Laboratory