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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: 179 nonactive | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 Next >> [179]
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.4935±0.00339411
Normalized OD Score: sc h 1.0328±0.0232864
Z-Score: 1.0080±0.727111
p-Value: 0.374674
Z-Factor: -5.24371
Fitness Defect: 0.9817
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.0405±0.00114
Plate DMSO Control (-):0.46135000000000004±0.02062
Plate Z-Factor:0.8447
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DBLink | Rows returned: 1
3428129

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

active | Cluster 13403 | Additional Members: 2 | Rows returned: 0
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