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Compound InformationSONAR Target prediction
Name:

7,4`-DIMETHOXYISOFLAVONE

Unique Identifier:SPE00201187
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H14O4
Molecular Weight:268.18 g/mol
X log p:17.461  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1)C1=COc2cc(OC)ccc2C1=O
Source:ex Dalbergia violaceae, Pterodon apparicioi
Generic_name:ISOFORMONONETIN
Chemical_iupac_name:4--HYDROXY-7-METHOXYISOFLAVONE
Drug_type:Experimental
Drugbank_id:EXPT01760
Drug_category:Isoflavone O-Methytransferase inhibitor
Organisms_affected:-1

Found: 61 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [61]
Species: 4932
Condition: BNI4
Replicates: 2
Raw OD Value: r im 0.6002±0.0222032
Normalized OD Score: sc h 0.8879±0.0263391
Z-Score: -3.5113±1.0933
p-Value: 0.00309822
Z-Factor: -0.0463366
Fitness Defect: 5.7769
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00023
Plate DMSO Control (-):0.6830499999999999±0.00838
Plate Z-Factor:0.9530
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DBLink | Rows returned: 2
3764 3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
136419 7-methoxy-3-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 161 2 3 Next >> 
SPE00211076 0.9008
SPE00201309 0.9286
SPE00240645 0.9297
SPE00201310 0.9444
BTB 12551 0.9496
SPE00240565 0.9587

active | Cluster 8155 | Additional Members: 16 | Rows returned: 2
SPE00200422 0.396551724137931
SPE00102007 0

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