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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 181 182 183 184 185 186 187 188 189 190  Next >> [205]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.6739±0.0159099
Normalized OD Score: sc h 0.9874±0.00266517
Z-Score: -0.6063±0.148624
p-Value: 0.546508
Z-Factor: -5.74348
Fitness Defect: 0.6042
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00288
Plate DMSO Control (-):0.6609±0.02185
Plate Z-Factor:0.8948
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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

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