| Compound Information | SONAR 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 Failures | 1 | | TPSA | 44.76 | | 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) |
| Species: |
4932 |
| Condition: |
HSC82 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7236±0.00565685 |
| Normalized OD Score: sc h |
0.9888±0.00684883 |
| Z-Score: |
-0.6368±0.416502 |
| p-Value: |
0.541944 |
| Z-Factor: |
-4.37939 |
| Fitness Defect: |
0.6126 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|G11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-04-29 YYYY-MM-DD | | Plate CH Control (+): | 0.0408±0.00074 | | Plate DMSO Control (-): | 0.7077±0.00977 | | Plate Z-Factor: | 0.9512 |
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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 | |
| active | Cluster 16752 | Additional Members: 9 | Rows returned: 1 | |
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