| 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: |
VID30 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6600±0.0160513 |
| Normalized OD Score: sc h |
0.9844±0.0201102 |
| Z-Score: |
-0.7465±0.949836 |
| p-Value: |
0.548238 |
| Z-Factor: |
-5.47033 |
| Fitness Defect: |
0.601 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2007-12-05 YYYY-MM-DD | | Plate CH Control (+): | 0.041325±0.00075 | | Plate DMSO Control (-): | 0.649675±0.00948 | | Plate Z-Factor: | 0.9511 |
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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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