Ribalinium
PubChem CID: 3083987
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| Compound Synonyms | Ribalinium, Xanthoribalinium, 6883-22-3, (R)-2,3-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methylfuro(2,3-b)quinolinium, Furo(2,3-b)quinolinium, 2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)-, Ribalinium chloride, C10735, AC1L9DOB, CTK2F3012, GAA88322, (2R)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol, 2,3-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methylfuro[2,3-b]quinolinium, 9CI |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Alkaloid from the leaves of Ruta graveolens (rue). Ribalinium is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol |
| Prediction Hob | 0.0 |
| Class | Quinolines and derivatives |
| Xlogp | 2.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Dihydrofuranoquinolines |
| Molecular Formula | C16H20NO4+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | RUZDYQSFFIVRRP-UHFFFAOYSA-O |
| Fcsp3 | 0.4375 |
| Logs | -3.588 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.264 |
| Synonyms | 2,3-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methylfuro[2,3-b]quinolinium, 9CI, 2,3-dihydro-6-Hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methylfuro[2,3-b]quinolinium, 9ci |
| Compound Name | Ribalinium |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.139 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 290.139 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 290.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -1.5202827523809526 |
| Inchi | InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1 |
| Smiles | CC(C)(C1CC2=C(C3=C(C=CC(=C3)O)[N+](=C2O1)C)OC)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dihydrofuranoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients