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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: PEP5
Replicates: 2
Raw OD Value: r im 0.5638±0.0371231
Normalized OD Score: sc h 0.8206±0.0590905
Z-Score: -9.8955±3.07049
p-Value: 0.00000000000000562306
Z-Factor: -0.318797
Fitness Defect: 32.8119
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.049625±0.00066
Plate DMSO Control (-):0.6696249999999999±0.01249
Plate Z-Factor:0.9399
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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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