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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 61 62 63 64 65 66 67 68 69 70  Next >> [72]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6873±0.00275772
Normalized OD Score: sc h 0.2825±0.0128974
Z-Score: -21.5435±1.36747
p-Value: 0
Z-Factor: 0.835741
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00067
Plate DMSO Control (-):0.692725±0.01203
Plate Z-Factor:0.9429
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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: 72 Next >> 
SPE00240565 0.9008
SPE10100003 0.9015
SPE00240645 0.9044
LOPAC 00433 0.9084
SPE00210296 0.9084
JFD 02642 0.9118

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

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