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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 31 32 33 34 35 36 37 38 39 40  Next >> [72]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.3051±0.0066468
Normalized OD Score: sc h 0.3770±0.00842715
Z-Score: -23.0769±1.15307
p-Value: 0
Z-Factor: 0.874314
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.037825±0.00209
Plate DMSO Control (-):0.7941±0.01385
Plate Z-Factor:0.9328
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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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