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Compound InformationSONAR Target prediction
Name:

MORIN

Unique Identifier:SPE01502259
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:292.156 g/mol
X log p:11.09  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(c(O)c1)C1Oc2cc(O)cc(O)c2C(=O)C=1O
Class:flavone
Source:Chlorophora tinctoria
Reference:J Chem Soc 67: 649 (1895)
Therapeutics:P450 and ATPase inhibitor

Found: 204 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [204]
Species: 4932
Condition: RNR3
Replicates: 2
Raw OD Value: r im 0.7108±0.0316077
Normalized OD Score: sc h 0.9434±0.0267807
Z-Score: -1.7276±0.959461
p-Value: 0.155111
Z-Factor: -3.54717
Fitness Defect: 1.8636
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.038125±0.00124
Plate DMSO Control (-):0.747425±0.03544
Plate Z-Factor:0.8527
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DBLink | Rows returned: 72 Next >> 
3365422 calcium [2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxoniumylidene-chromen-5-yl]oxidanium
5281670 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
5478571 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxo-chromen-5-olate; titanium(+4) cation
5841189 [5-oxonio-2-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl]oxidanium; titanium
6711742 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; titanium
11980426 3,7-dihydroxy-2-(4-hydroxy-2-oxido-phenyl)-4-oxoniumylidene-chromen-5-olate; titanium

internal high similarity DBLink | Rows returned: 82 Next >> 
LOPAC 01061 0.9012
LOPAC 01176 0.9012
SPE01500672 0.9012
SPE01504065 0.9012
XBX 00307 0.9012
SPE01504130 0.9202

active | Cluster 10732 | Additional Members: 22 | Rows returned: 72 Next >> 
RJC 00213 0.508196721311475
SPE01505143 0.464285714285714
Prest342 0.326923076923077
LOPAC 01061 0.326923076923077
Prest1133 0.224489795918367
Prest541 0

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