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Compound InformationSONAR Target prediction
Name:

3,4-DIMETHOXYDALBERGIONE

Unique Identifier:SPE00240828
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:14.879  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1c(=O)cc(C(C=C)c2ccccc2)c(=O)c1OC
Class:quinone
Source:Dalbergia spp, Machaerium spp
Reference:Tetrahedron 21: 2697 (9165)
Therapeutics:induces dermatitis

Found: 143 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [143]
Species: 4932
Condition: CKA2
Replicates: 2
Raw OD Value: r im 0.6909±0.0339411
Normalized OD Score: sc h 0.8292±0.0608831
Z-Score: -6.1901±2.46952
p-Value: 0.0000044184
Z-Factor: -0.392673
Fitness Defect: 12.3297
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2006-04-03 YYYY-MM-DD
Plate CH Control (+):0.046424999999999994±0.02535
Plate DMSO Control (-):0.8340500000000001±0.01571
Plate Z-Factor:0.7490
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DBLink | Rows returned: 1
115019 2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 9726 | Additional Members: 2 | Rows returned: 1
SPE00201281 0

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