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

Compound InformationSONAR Target prediction
Name:

PEUCEDANIN

Unique Identifier:SPE01504168
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H14O4
Molecular Weight:244.158 g/mol
X log p:9.136  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1c(oc2cc3OC(=O)C=Cc3cc21)C(C)C
Source:ex Peucedanum spp
Reference:Indian J Chem 2: 464 (1964)

Found: 451 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [451]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.5413±0
Normalized OD Score: sc h 0.8003±0
Z-Score: -1.7927±0
p-Value: 0.0730152
Z-Factor: 0.579402
Fitness Defect: 2.6171
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00083
Plate DMSO Control (-):0.69785±0.01911
Plate Z-Factor:0.9085
png
ps
pdf

DBLink | Rows returned: 1
8616

internal high similarity DBLink | Rows returned: 0

active | Cluster 14605 | Additional Members: 7 | Rows returned: 1
SPE00100101 0.491228070175439

Service provided by the Mike Tyers Laboratory