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Compound InformationSONAR Target prediction
Name:

IRIGENIN, 7-BENZYL ETHER

Unique Identifier:SPE00200763
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H22O8
Molecular Weight:428.263 g/mol
X log p:20.51  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:COc1cc(cc(O)c1OC)C1=COc2cc(OCc3ccccc3)c(OC)c(O)c2C1=O
Source:derivative of irigenin from Iris spp.

Found: 57 active | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [57]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.1338±0.0100409
Normalized OD Score: sc h 0.4488±0.0128207
Z-Score: -4.7929±0.188759
p-Value: 0.00000200432
Z-Factor: 0.593902
Fitness Defect: 13.1202
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00152
Plate DMSO Control (-):0.33492500000000003±0.02042
Plate Z-Factor:0.7685
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DBLink | Rows returned: 1
6063287 5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-phenylmethoxy-chromen-4-one

internal high similarity DBLink | Rows returned: 1
SPE00201181 0.9939

nonactive | Cluster 9315 | Additional Members: 4 | Rows returned: 3
SPE00211076 0.52112676056338
SPE00200793 0.451219512195122
SPE00201181 0.17910447761194

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