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Compound InformationSONAR Target prediction
Name:

CUNEATIN METHYL ETHER

Unique Identifier:SPE00210556
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:312.189 g/mol
X log p:14.131  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc2C(=O)C(=COc2c1)c1cc2OCOc2cc1OC
Source:Pterodon apparicioi
Reference:Phytochemistry 1974: 2593 (1974)

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SAC3
Replicates: 2
Raw OD Value: r im 0.5439±0.02786
Normalized OD Score: sc h 1.0272±0.0068069
Z-Score: 0.9291±0.18039
p-Value: 0.35676
Z-Factor: -5.32331
Fitness Defect: 1.0307
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2008-05-16 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00095
Plate DMSO Control (-):0.5038750000000001±0.02456
Plate Z-Factor:0.8305
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DBLink | Rows returned: 2
343083 7-methoxy-3-(6-methoxybenzo[1,3]dioxol-5-yl)chromen-4-one
5385091 7-hydroxy-3-(6-methoxybenzo[1,3]dioxol-5-yl)chromen-4-one

internal high similarity DBLink | Rows returned: 1
SPE01600568 0.9346

active | Cluster 13403 | Additional Members: 2 | Rows returned: 1
SPE00102018 0

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