GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 695
TrivialName Naringin
Type Miscellaneous
MF C₂₇H₃₂O₁₄
MolecularWeight 580.539
IUPACName (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES [H]OC1=C2C(O[C@@H](C3=CC=C(O[H])C=C3)CC2=O)=CC(O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C1
Canonical SMILES CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PG
Functions antioxidant, anti-inflammatory, anti-apoptotic, anti-ulcer, anti-osteoporotic and anti-carcinogenic
Toxicity Organism guinea pig, rat
Toxicity Type LD50, LD50
Toxicity Route intraperitoneal, intraperitoneal
Toxicity Dose 2 gm/kg, 2 gm/kg
Year 2021
References

Yanyang et al. (2021)

Structure Naringin