| 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: |
WHI5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6627±0.0234052 |
| Normalized OD Score: sc h |
1.0415±0.0212069 |
| Z-Score: |
1.6884±0.77312 |
| p-Value: |
0.139483 |
| Z-Factor: |
-4.17377 |
| Fitness Defect: |
1.9698 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2008-09-16 YYYY-MM-DD | | Plate CH Control (+): | 0.041375±0.00093 | | Plate DMSO Control (-): | 0.6423±0.04155 | | Plate Z-Factor: | 0.8082 |
|  png
ps
pdf |
| 9476 |
(1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 73081 |
(1R,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 91492 |
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 348159 |
3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 443706 |
(3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid |
| 1794427 |
(1R,3R,4S,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 | |
| nonactive | Cluster 6023 | Additional Members: 3 | Rows returned: 1 | |
|
