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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: CHS7
Replicates: 2
Raw OD Value: r im 0.5386±0.00565685
Normalized OD Score: sc h 1.0064±0.0169908
Z-Score: 0.1814±0.529613
p-Value: 0.712584
Z-Factor: -63.1877
Fitness Defect: 0.3389
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-02-21 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00050
Plate DMSO Control (-):0.50915±0.02150
Plate Z-Factor:0.8622
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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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