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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 71 72 73 74 75 76 77 78 79 80  Next >> [91]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.4426±0.00339411
Normalized OD Score: sc h 0.9603±0.028706
Z-Score: -0.1902±0.578069
p-Value: 0.6881
Z-Factor: -5.48779
Fitness Defect: 0.3738
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.0412±0.00185
Plate DMSO Control (-):0.433±0.01661
Plate Z-Factor:0.8650
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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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