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: |
BCK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7560±0.038608 |
Normalized OD Score: sc h |
1.0076±0.0226587 |
Z-Score: |
0.3834±1.00195 |
p-Value: |
0.510004 |
Z-Factor: |
-18.4532 |
Fitness Defect: |
0.6733 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|C8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.80 Celcius | Date: | 2006-03-29 YYYY-MM-DD | Plate CH Control (+): | 0.037875±0.00166 | Plate DMSO Control (-): | 0.730375±0.01398 | Plate Z-Factor: | 0.9595 |
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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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