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Compound InformationSONAR Target prediction
Name:

UMBELLIFERONE

Unique Identifier:SPE00231084
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H6O3
Molecular Weight:156.094 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Oc1ccc2C=CC(=O)Oc2c1
Class:coumarin
Source:Angelica, Artemisia, Coronilla, Ferula and Ruta spp
Reference:Chem Pharm Bull 19:640 (1971); Phytochemistry 14:1083 (1975)
Therapeutics:antifungal, phytoalexin

Found: 91 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [91]
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.6484±0.0129401
Normalized OD Score: sc h 0.9932±0.00424425
Z-Score: -0.2645±0.168616
p-Value: 0.792804
Z-Factor: -11.4525
Fitness Defect: 0.2322
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00040
Plate DMSO Control (-):0.6221±0.01800
Plate Z-Factor:0.9035
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 16508 | Additional Members: 6 | Rows returned: 0

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