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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 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: TUB3
Replicates: 2
Raw OD Value: r im 0.6905±0.000989949
Normalized OD Score: sc h 0.9958±0.00583716
Z-Score: -0.2435±0.342089
p-Value: 0.813064
Z-Factor: -233.908
Fitness Defect: 0.2069
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-10-12 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00066
Plate DMSO Control (-):0.68685±0.02035
Plate Z-Factor:0.9038
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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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