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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 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: ROM2
Replicates: 2
Raw OD Value: r im 0.6377±0.0138593
Normalized OD Score: sc h 0.9911±0.00715927
Z-Score: -0.3878±0.302209
p-Value: 0.704674
Z-Factor: -14.4415
Fitness Defect: 0.35
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2007-11-21 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00040
Plate DMSO Control (-):0.6394249999999999±0.03778
Plate Z-Factor:0.8005
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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

active | Cluster 16752 | Additional Members: 9 | Rows returned: 1
SPE00210567 0.365853658536585

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