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Compound InformationSONAR Target prediction
Name:

IRIGENOL

Unique Identifier:SPE00201182
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:308.156 g/mol
X log p:10.399  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:1
Canonical Smiles:Oc1cc2OC=C(C(=O)c2c(O)c1O)c1cc(O)c(O)c(O)c1
Class:isoflavone
Source:Iris spp

Found: 72 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [72]
Species: 4932
Condition: ELG1
Replicates: 2
Raw OD Value: r im 0.6494±0.0335169
Normalized OD Score: sc h 0.9149±0.0476412
Z-Score: -5.3466±3.04391
p-Value: 0.00070101
Z-Factor: -1.77689
Fitness Defect: 7.263
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-10-10 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00139
Plate DMSO Control (-):0.7025249999999998±0.02081
Plate Z-Factor:0.9075
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DBLink | Rows returned: 1
5781144 5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 7<< Back 1 2
SPE00200873 0.9161

active | Cluster 3206 | Additional Members: 1 | Rows returned: 0

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