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Compound InformationSONAR Target prediction
Name:

DIMETHYLCAFFEIC ACID

Unique Identifier:SPE00210567
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:196.115 g/mol
X log p:10.369  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(C=CC(O)=O)cc1OC
Class:aromatic
Source:Piper methysticum, Veronica virginica
Reference:Pharmazie 11: 433 (1956)

Found: 11 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SPE00210025
Replicates: 2
Raw OD Value: r im 0.0745±0.000212132
Normalized OD Score: sc h 1.5264±0.0165681
Z-Score: 4.1424±0.0921125
p-Value: 0.0000356852
Z-Factor: -3.58803
Fitness Defect: 10.2408
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00219
Plate DMSO Control (-):0.060725±0.26638
Plate Z-Factor:-2.5515
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DBLink | Rows returned: 5
16848 3-(3,4-dimethoxyphenyl)prop-2-enoic acid
717531 (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
1585026 (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
5140696 3-(3,4-dimethoxyphenyl)prop-2-enoate
5547436 (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

internal high similarity DBLink | Rows returned: 2
SPE01501017 0.9508
SPE00290032 0.9531

nonactive | Cluster 16752 | Additional Members: 9 | Rows returned: 2
SPE00211458 0.475
SPE00290032 0

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