GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 613
TrivialName Chlorogenic acid
Type Miscellaneous
MF C₁₆H₁₈O₉
MolecularWeight 354.311
IUPACName (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES [H]OC1=C(O[H])C=CC(/C([H])=C([H])/C(O[C@@H]2C[C@](O[H])(C(O[H])=O)C[C@@H](O)[C@H]2O)=O)=C1
Canonical SMILES O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O
Source PG
Functions anti-cancer(Tyrosine kinase inhibitors), Anti-diabetic, anti-inflammatory, anti-oxidant, nueroprotective agent, antibacterial, hepatoprotective, cardioprotective, antipyretic, anti-obesity, antiviral, anti-microbial, anti-hypertension
Year 2021
References

Yanyang et al. (2021)

Structure Chlorogenic acid