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: |
NPR1 |
Replicates: |
2 |
Raw OD Value: r im |
0.9441±0.00304056 |
Normalized OD Score: sc h |
0.9567±0.00312897 |
Z-Score: |
0.0182±0.16116 |
p-Value: |
0.909286 |
Z-Factor: |
-1.44516 |
Fitness Defect: |
0.0951 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 16|E7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | 0.000475±0.00322 | Plate DMSO Control (-): | 0.998575±0.03329 | Plate Z-Factor: | 0.8988 |
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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 | |
active | Cluster 6023 | Additional Members: 3 | Rows returned: 0 | |
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