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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7046±0.00367696
Normalized OD Score: sc h 1.0056±0.00171483
Z-Score: 0.3059±0.0885485
p-Value: 0.760172
Z-Factor: -16.5227
Fitness Defect: 0.2742
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00108
Plate DMSO Control (-):0.679925±0.04700
Plate Z-Factor:0.6990
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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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