|
Compound Information
|
| ID |
730 |
| TrivialName |
Rutin |
| Type |
Miscellaneous |
| MF |
C₂₇H₃₀O₁₆ |
| MolecularWeight |
610.521 |
| IUPACName |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| m/z |
NT |
| Retention Time |
NT |
| CCS |
NT |
| Adducts |
NT |
| Isomeric SMILES |
OC1=CC(C2=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(C5=C(O)C=C(O)C=C5O2)=O)=CC=C1O |
| Canonical SMILES |
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O |
| Source |
PQ |
| Functions |
neuroprotective, anti-inflammatory, antioxidant, stress-modulating effects, anti-microbial |
| Toxicity Organism |
rat, mouse, mouse, mouse, guinea pig |
| Toxicity Type |
LD50, LD50, LD50, LD50 |
| Toxicity Route |
intraperitoneal, intraperitoneal, intravenous, intraperitoneal |
| Toxicity Dose |
2 gm/kg, 200 mg/kg, 950 mg/kg, 2 gm/kg |
| Year |
2001 |
| References |
Xiang-ying et al. (2001)
|
| Structure |
|
