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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 21 22 23 24 25 26 27 28 29 30  Next >> [91]
Species: 4932
Condition: GIM4
Replicates: 2
Raw OD Value: r im 0.7136±0.000777817
Normalized OD Score: sc h 0.9883±0.00514192
Z-Score: -0.5427±0.231908
p-Value: 0.592318
Z-Factor: -9.95363
Fitness Defect: 0.5237
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-03-20 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00089
Plate DMSO Control (-):0.706575±0.02694
Plate Z-Factor:0.8769
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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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