Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 21 22 23 24 25 26 27 28 29 30  Next >> [67]
Species: 4932
Condition: KGD1
Replicates: 2
Raw OD Value: r im 0.7177±0.00162635
Normalized OD Score: sc h 1.0018±0.000154355
Z-Score: 0.1043±0.00753614
p-Value: 0.91694
Z-Factor: -22.4949
Fitness Defect: 0.0867
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-09-11 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00049
Plate DMSO Control (-):0.6979249999999999±0.01952
Plate Z-Factor:0.9040
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory