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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 11 12 13 14 15 16 17 18 19 20  Next >> [57]
Species: 4932
Condition: CKA2
Replicates: 2
Raw OD Value: r im 0.7224±0.0190212
Normalized OD Score: sc h 0.8476±0.0229499
Z-Score: -5.4616±0.574757
p-Value: 0.00000021715
Z-Factor: -0.058425
Fitness Defect: 15.3427
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2006-04-03 YYYY-MM-DD
Plate CH Control (+):0.038925±0.00148
Plate DMSO Control (-):0.8262749999999999±0.02539
Plate Z-Factor:0.8809
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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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