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Compound InformationSONAR Target prediction
Name:

3,4,5-TRIMETHOXYCINNAMALDEHYDE

Unique Identifier:SPE00211458
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H14O4
Molecular Weight:208.126 g/mol
X log p:11.203  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1cc(C=CC=O)cc(OC)c1OC
Source:ex Dalbergia spruceana
Reference:Phytochemistry 17: 1419 (1978)

Found: 101 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7365±0.00869741
Normalized OD Score: sc h 1.0405±0.000207185
Z-Score: 1.2176±0.0929112
p-Value: 0.22438
Z-Factor: -0.992666
Fitness Defect: 1.4944
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2006-04-19 YYYY-MM-DD
Plate CH Control (+):0.03795±0.00367
Plate DMSO Control (-):0.721025±0.01932
Plate Z-Factor:0.9209
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DBLink | Rows returned: 2
36798 3-(3,4,5-trimethoxyphenyl)prop-2-enal
5839209 (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enal

internal high similarity DBLink | Rows returned: 1
SPE00290032 0.9063

nonactive | Cluster 16752 | Additional Members: 9 | Rows returned: 2
SPE00210567 0.365853658536585
SPE00290032 0

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