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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 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BNI4
Replicates: 2
Raw OD Value: r im 0.6435±0.0154856
Normalized OD Score: sc h 1.0397±0.00226993
Z-Score: 1.2309±0.0273496
p-Value: 0.218452
Z-Factor: -2.68838
Fitness Defect: 1.5212
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.038775±0.00066
Plate DMSO Control (-):0.6373249999999999±0.02074
Plate Z-Factor:0.9281
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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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