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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: 79 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [79]
Species: 4932
Condition: GIM3
Replicates: 2
Raw OD Value: r im 0.7149±0.0536694
Normalized OD Score: sc h 0.9767±0.00606706
Z-Score: -0.7290±0.13992
p-Value: 0.468182
Z-Factor: -4.70809
Fitness Defect: 0.7589
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2006-03-15 YYYY-MM-DD
Plate CH Control (+):0.038724999999999996±0.00175
Plate DMSO Control (-):0.715375±0.03372
Plate Z-Factor:0.8129
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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

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

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