Ribaline
PubChem CID: 336321
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| Compound Synonyms | Ribaline, 6872-52-2, d-Ribaline, (+/-)-Ribaline, CHEMBL25275, DTXSID80319748, CHEBI:173258, ONPUKGULNMQBLF-UHFFFAOYSA-N, DTXSID501125058, NSC350079, NSC-350079, 41234-32-6, 3,9-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-9-methylfuro[2,3-b]quinolin-4(2H)-one, 6-hydroxy-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrouro[2,3-b]quinolin-4-one, 6-hydroxy-2-(2-hydroxypropan-2-yl)-9-methyl-2H,3H,4H,9H-furo[2,3-b]quinolin-4-one, 6-Hydroxy-2-(1-hydroxy-1-methylethyl)-9-methyl-3,9-dihydrofuro[2,3-b]quinolin-4(2H)-one # |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Description | Minor alkaloid from Ruta graveolens (rue). (±)-Ribaline is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one |
| Prediction Hob | 1.0 |
| Class | Quinolines and derivatives |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Dihydrofuranoquinolines |
| Molecular Formula | C15H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ONPUKGULNMQBLF-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 1.0 |
| Substituent Name | Dihydrofuranoquinoline, Hydroxyquinoline, Dihydroquinolone, Dihydroquinoline, Alkyl aryl ether, Benzenoid, Pyridine, Heteroaromatic compound, Vinylogous ester, Vinylogous amide, Tertiary alcohol, Oxacycle, Azacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Ribaline |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 275.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 275.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6148848 |
| Inchi | InChI=1S/C15H17NO4/c1-15(2,19)12-7-10-13(18)9-6-8(17)4-5-11(9)16(3)14(10)20-12/h4-6,12,17,19H,7H2,1-3H3 |
| Smiles | CC(C)(C1CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)O)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients