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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.4283±0.00855599
Normalized OD Score: sc h 0.9753±0.0130302
Z-Score: -0.6318±0.361341
p-Value: 0.540802
Z-Factor: -287.301
Fitness Defect: 0.6147
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.040375±0.00041
Plate DMSO Control (-):0.41517499999999996±0.05775
Plate Z-Factor:0.5082
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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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