Compound Information | SONAR 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 Failures | 1 | TPSA | 35.53 | 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) |
Species: |
4932 |
Condition: |
SPE01502223 |
Replicates: |
2 |
Raw OD Value: r im |
0.5450±0.00487904 |
Normalized OD Score: sc h |
1.0057±0.00987066 |
Z-Score: |
0.1992±0.342587 |
p-Value: |
0.812278 |
Z-Factor: |
-9.66945 |
Fitness Defect: |
0.2079 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|D7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.50 Celcius | Date: | 2006-11-29 YYYY-MM-DD | Plate CH Control (+): | 0.03985±0.00223 | Plate DMSO Control (-): | 0.572425±0.01962 | Plate Z-Factor: | 0.8737 |
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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 | |
active | Cluster 16752 | Additional Members: 9 | Rows returned: 0 | |
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