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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: 137 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [137]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.6534±0.00784888
Normalized OD Score: sc h 0.9294±0.00979291
Z-Score: -3.6046±0.339381
p-Value: 0.000443666
Z-Factor: -0.353857
Fitness Defect: 7.7204
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.0421±0.00172
Plate DMSO Control (-):0.6726000000000001±0.01465
Plate Z-Factor:0.9149
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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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