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Compound InformationSONAR Target prediction
Name:

3-,4--DIMETHOXYFLAVONE

Unique Identifier:SPE01500735
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:17.421  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(cc1OC)C1Oc2ccccc2C(=O)C=1
Class:flavone
Source:Primula officinalis
Reference:Ber 38: 2177 (1905); Phytochemistry 7: 1215 (1968)

Found: 69 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [69]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6290±0.0193747
Normalized OD Score: sc h 0.8230±0.0359612
Z-Score: -8.9784±1.61062
p-Value: 0.00000000000000226144
Z-Factor: -0.0819188
Fitness Defect: 33.7228
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00260
Plate DMSO Control (-):0.657775±0.01089
Plate Z-Factor:0.9119
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DBLink | Rows returned: 2
276138 n/a
688674 2-(3,4-dimethoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 92 Next >> 
BTB 14489 0.9028
LOPAC 01016 0.9073
SPE01504115 0.9073
BTB 10082 0.9167
SPE00240958 0.9167
SPE01600652 0.9200

active | Cluster 12019 | Additional Members: 25 | Rows returned: 72 Next >> 
SPE01504132 0.480769230769231
SPE01505139 0.42
LOPAC 01174 0.403846153846154
LAT006E05 0.403846153846154
BTB 13702 0.347826086956522
SPE01500741 0.295454545454545

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