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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 31 32 33 34 35 36 37 38 39 40  Next >> [91]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.6950±0.0019799
Normalized OD Score: sc h 0.9943±0.00236588
Z-Score: -0.2804±0.114166
p-Value: 0.779908
Z-Factor: -22.888
Fitness Defect: 0.2486
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00052
Plate DMSO Control (-):0.678075±0.01809
Plate Z-Factor:0.9007
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16508 | Additional Members: 6 | Rows returned: 2
Prest1137 0
SPE01500899 0

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