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Compound InformationSONAR Target prediction
Name:

EUPATORIN

Unique Identifier:SPE01500731
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O7
Molecular Weight:328.188 g/mol
X log p:11.72  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1O)C1Oc2cc(OC)c(OC)c(O)c2C(=O)C=1
Source:ex Eupatorium spp and other Compositae
Reference:J Pharm Sci 54: 929 (1965); Tetrahedron 25: 1603 (1969)
Therapeutics:emetic

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: RAD50
Replicates: 2
Raw OD Value: r im 0.5962±0.0200111
Normalized OD Score: sc h 0.8898±0.0079939
Z-Score: -4.3655±0.238407
p-Value: 0.0000164186
Z-Factor: -3.74169
Fitness Defect: 11.0171
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|H4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-09-07 YYYY-MM-DD
Plate CH Control (+):0.0414±0.00082
Plate DMSO Control (-):0.638825±0.08191
Plate Z-Factor:0.5738
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DBLink | Rows returned: 2
97214 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one
160237 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one

internal high similarity DBLink | Rows returned: 4
LOPAC 01016 0.9172
SPE01504115 0.9172
BTB 14496 0.9308
SPE01504068 0.9363

active | Cluster 13276 | Additional Members: 6 | Rows returned: 1
SPE01504068 0

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