| 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: |
SWR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6339±0.00240416 |
| Normalized OD Score: sc h |
0.9739±0.00570217 |
| Z-Score: |
-1.0726±0.238943 |
| p-Value: |
0.290286 |
| Z-Factor: |
-3.70903 |
| Fitness Defect: |
1.2369 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2008-01-31 YYYY-MM-DD | | Plate CH Control (+): | 0.041025±0.00042 | | Plate DMSO Control (-): | 0.61085±0.01800 | | Plate Z-Factor: | 0.8947 |
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| 7003561 |
(1R,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylate |
| 7067332 |
(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylate |
| 7067333 |
(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic
acid |
| 7067334 |
(1S,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylate |
| 7067335 |
(1S,3R,4S,5S)-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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