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Compound InformationSONAR Target prediction
Name:

4,4--DIMETHOXYDALBERGIONE

Unique Identifier:SPE00201448
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:COc1ccc(cc1)C(C=C)c1cc(=O)c(OC)cc1=O
Class:quinone
Source:Dalbergia nigra
Reference:Tetrahedron 21: 2683 (1965)

Found: 525 nonactive | as graph: single | with analogs [1] << Back 501 502 503 504 505 506 507 508 509 510  Next >> [525]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.5637±0.0353553
Normalized OD Score: sc h 0.9086±0.0581273
Z-Score: -4.3130±2.86232
p-Value: 0.0110372
Z-Factor: -1.71832
Fitness Defect: 4.5065
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040275±0.00052
Plate DMSO Control (-):0.600625±0.01466
Plate Z-Factor:0.9175
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 2012 | Additional Members: 3 | Rows returned: 1
SPE00201092 0.234042553191489

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