Hydrocinchonin
PubChem CID: 16212907
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| Compound Synonyms | Hydrocinchonin, SCHEMBL13587307 |
|---|---|
| Topological Polar Surface Area | 36.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Dihydrocinchonine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrocinchonine can be found in olive, which makes dihydrocinchonine a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| Nih Violation | False |
| Class | Cinchona alkaloids |
| Xlogp | 2.9 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C19H24N2O |
| Inchi Key | WFJNHVWTKZUUTR-FGVBSWQGSA-N |
| Rotatable Bond Count | 3.0 |
| Compound Name | Hydrocinchonin |
| Kingdom | Organic compounds |
| Exact Mass | 296.189 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 296.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14?,18+,19-/m0/s1 |
| Smiles | CC[C@H]1CN2CCC1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cinchona alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all