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Compound InformationSONAR Target prediction
Name:

ICHTHYNONE

Unique Identifier:SPE00102018
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:388.242 g/mol
X log p:13.829  (online calculus)
Lipinksi Failures1
TPSA72.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:COc1cc2C(=O)C(=COc2c2C=CC(C)(C)Oc12)c1cc2OCOc2cc1OC
Class:isoflavone
Source:Piscidia erythrina and Millettia rubiginosa
Reference:Tetrahedron 20:1317 (1964); J Chem Soc(C) 1969:1787
Therapeutics:piscicide

Found: 15 active | as graph: single | with analogs << Back 11 12 13 14 15 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.2858±0.0214253
Normalized OD Score: sc h 0.7130±0.0240593
Z-Score: -4.3082±0.84456
p-Value: 0.000103689
Z-Factor: -8.95129
Fitness Defect: 9.1741
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-08-22 YYYY-MM-DD
Plate CH Control (+):0.040775±0.00084
Plate DMSO Control (-):0.5461750000000001±0.01699
Plate Z-Factor:0.9005
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DBLink | Rows returned: 1
3428129

internal high similarity DBLink | Rows returned: 1
RJC 01111 0.9522

nonactive | Cluster 13403 | Additional Members: 2 | Rows returned: 1
SPE00210556 0.447368421052632

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