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Compound InformationSONAR Target prediction
Name:

4-METHOXYDALBERGIONE

Unique Identifier:SPE00201092
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:240.169 g/mol
X log p:16.544  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:COc1cc(=O)c(cc1=O)C(C=C)c1ccccc1
Class:quinone
Source:Dalbergia retusa and D. nigra
Reference:Phytochemistry 17: 1395 (1978); Tetrahedron 21: 2683 (1965)

Found: 443 nonactive | as graph: single | with analogs [1] << Back 331 332 333 334 335 336 337 338 339 340  Next >> [443]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.6665±0.0103945
Normalized OD Score: sc h 0.9504±0.00922656
Z-Score: -2.4054±0.406533
p-Value: 0.0206344
Z-Factor: -2.056
Fitness Defect: 3.8808
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.70 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.0417±0.00052
Plate DMSO Control (-):0.691325±0.02058
Plate Z-Factor:0.8809
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DBLink | Rows returned: 1
99926 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 2012 | Additional Members: 3 | Rows returned: 1
SPE00201448 0

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