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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: 134 nonactive | as graph: single | with analogs [1] << Back 111 112 113 114 115 116 117 118 119 120  Next >> [134]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.6945±0.047659
Normalized OD Score: sc h 0.9814±0.0384154
Z-Score: -0.7990±1.64557
p-Value: 0.382562
Z-Factor: -10.9477
Fitness Defect: 0.9609
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.040275±0.00128
Plate DMSO Control (-):0.70335±0.01521
Plate Z-Factor:0.9111
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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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