Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

SINAPIC ACID METHYL ETHER

Unique Identifier:SPE00290032
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:224.125 g/mol
X log p:8.704  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:COc1cc(C=CC(O)=O)cc(OC)c1OC
Class:aromatic
Source:common plant constituent
Reference:Indian J Chem B 15: 583 (1977); Phytochemistry 19: 651 (1980); Chem Pharm Bull 32:
3267 (1984)

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.6217±0.0737512
Normalized OD Score: sc h 0.9413±0.0946401
Z-Score: -2.4821±4.05535
p-Value: 0.349934
Z-Factor: -5.17252
Fitness Defect: 1.05
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00035
Plate DMSO Control (-):0.642325±0.01565
Plate Z-Factor:0.9355
png
ps
pdf

DBLink | Rows returned: 3
7021 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
735755 (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
5566313 (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

internal high similarity DBLink | Rows returned: 4
SPE00211458 0.9063
SPE01501017 0.9063
RJC 04027 0.9143
SPE00210567 0.9531

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

Service provided by the Mike Tyers Laboratory