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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: 61 active | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [61]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.0669±0.00417193
Normalized OD Score: sc h 0.2451±0.0391991
Z-Score: -6.5789±0.752326
p-Value: 0.000000000738638
Z-Factor: 0.658497
Fitness Defect: 21.0262
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.040725±0.00404
Plate DMSO Control (-):0.32405±0.01544
Plate Z-Factor:0.7158
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DBLink | Rows returned: 1
8616

internal high similarity DBLink | Rows returned: 0

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

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