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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: 451 nonactive | as graph: single | with analogs [1] << Back 421 422 423 424 425 426 427 428 429 430  Next >> [451]
Species: 4932
Condition: NUM1
Replicates: 2
Raw OD Value: r im 0.6880±0.0140007
Normalized OD Score: sc h 0.9625±0.0154039
Z-Score: -1.6815±0.72096
p-Value: 0.134883
Z-Factor: -2.17676
Fitness Defect: 2.0033
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-02-10 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00099
Plate DMSO Control (-):0.685875±0.01350
Plate Z-Factor:0.9135
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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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