| Compound Information | SONAR Target prediction | | Name: | CHLOROGENIC ACID | | Unique Identifier: | SPE00210800 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 336.166 g/mol | | X log p: | 8.313 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 9 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(O)=O | | Class: | aromatic | | Source: | occurence in many plants | | Reference: | Phytochemistry 15: 703 (1976); Biochem J 361: 57 (2002) | | Therapeutics: | antioxidant, free radical scavenger |
| Species: |
4932 |
| Condition: |
UBP6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5958±0.00183848 |
| Normalized OD Score: sc h |
0.9723±0.00412725 |
| Z-Score: |
-1.1255±0.23283 |
| p-Value: |
0.266832 |
| Z-Factor: |
-3.29604 |
| Fitness Defect: |
1.3211 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.50 Celcius | | Date: | 2008-01-24 YYYY-MM-DD | | Plate CH Control (+): | 0.0421±0.00062 | | Plate DMSO Control (-): | 0.5894999999999999±0.01886 | | Plate Z-Factor: | 0.8890 |
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| 5280633 |
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic
acid |
| 5315832 |
3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 5317239 |
ethyl 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylate |
| 5318529 |
(1R,3R,4R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 6325638 |
methyl
(1R,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylate |
| 6436237 |
(1R,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic
acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 6023 | Additional Members: 3 | Rows returned: 0 | |
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