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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 << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6744±0.0798324
Normalized OD Score: sc h 1.7723±0.0111338
Z-Score: 16.2947±1.61778
p-Value: 0
Z-Factor: 0.814269
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00116
Plate DMSO Control (-):0.66885±0.02433
Plate Z-Factor:0.8784
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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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