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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 391 392 393 394 395 396 397 398 399 400  Next >> [443]
Species: 4932
Condition: CTF18
Replicates: 2
Raw OD Value: r im 0.5479±0.0190212
Normalized OD Score: sc h 0.9285±0.0165814
Z-Score: -3.2733±1.12817
p-Value: 0.00667442
Z-Factor: -0.751884
Fitness Defect: 5.0095
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.90 Celcius
Date:2007-11-01 YYYY-MM-DD
Plate CH Control (+):0.04235±0.00077
Plate DMSO Control (-):0.581725±0.01455
Plate Z-Factor:0.9173
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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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