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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: 67 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [67]
Species: 4932
Condition: DUN1
Replicates: 2
Raw OD Value: r im 0.6201±0.000565685
Normalized OD Score: sc h 0.9181±0.0067208
Z-Score: -3.0882±0.373174
p-Value: 0.00277018
Z-Factor: -0.0967374
Fitness Defect: 5.8888
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2006-04-20 YYYY-MM-DD
Plate CH Control (+):0.038325±0.00200
Plate DMSO Control (-):0.6696249999999999±0.01459
Plate Z-Factor:0.9181
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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

active | Cluster 9315 | Additional Members: 4 | Rows returned: 1
SPE00211076 0.52112676056338

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