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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7482±0.00190919
Normalized OD Score: sc h 1.0090±0.00561774
Z-Score: 0.3657±0.190934
p-Value: 0.717074
Z-Factor: -13.0473
Fitness Defect: 0.3326
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.038125000000000006±0.00149
Plate DMSO Control (-):0.718975±0.01296
Plate Z-Factor:0.9236
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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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