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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 421 422 423 424 425 426 427 428 429 430  Next >> [443]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.5341±0.00820244
Normalized OD Score: sc h 0.9578±0.015782
Z-Score: -1.9722±0.59669
p-Value: 0.0688716
Z-Factor: -7.55166
Fitness Defect: 2.6755
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00050
Plate DMSO Control (-):0.551875±0.04324
Plate Z-Factor:0.7289
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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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