alpha-Quinidine
PubChem CID: 2757
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| Compound Synonyms | Cinchonan-9-ol, 118-10-5, Cinchovatine, alpha-Quinidine, quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol, GNF-PF-5411, 9-epi-Cinchonidine, L-Cinchonidine, MLS002637808, 1071759-34-6, NSC5364, .alpha.-Quinidine, {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)methanol, 4-QUINOLYL(5-VINYL-1-AZABICYCLO[2.2.2]OCT-2-YL)METHANOL, nchem.180-comp1b, SMR001488502, NSC6176, (8.alpha.,9R)-Cinchonan-9-ol, a-quinidine, (8a,9R)-Cinchonan-9-ol, 9CI, alpha -quinidine, Cinchonan-9-ol,9R)-, MLS006011421, CHEMBL15134, SCHEMBL732494, (+)-Cinchonine, D-Cinchonine, (8alpha ,9R)-Cinchonan-9-ol, CHEBI:183479, Cinchonan-9-ol, (8alpha 9R)-, HMS3369H22, HMS3372L22, AAA48570, AAA55054, BCP18343, Cinchonan-9-ol, (8alpha ,9R)-, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol, BBL012269, STL163586, AKOS000118852, AKOS022060412, CCG-245136, SB40649, NCGC00094864-01, NCGC00094864-02, NCGC00094864-03, NCGC00094864-04, SY010860, SY011344, VS-03255, DB-041389, CS-0267207, NS00010165, NS00076878, EN300-19538, AB00973495-02, WLN: T66 BNJ EYQ- DT66 A B CNTJ A1U1, F0001-1271, Z104474148, alpha-Quinidine, (8alpha,9R)-Cinchonan-9-ol, (8alpha,9R)-Cinchonan-9-ol, alpha-Quinidine |
|---|---|
| Topological Polar Surface Area | 36.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Alkaloid from the leaves of Olea europaea Cinchonidine is an alkaloid used in asymmetric synthesis in organic chemistry. It is a stereoisomer and pseudo-enantiomer of cinchonine. Cinchonidine is found in olive, herbs and spices, and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol |
| Nih Violation | False |
| Class | Cinchona alkaloids |
| Xlogp | 2.7 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C19H22N2O |
| Inchi Key | KMPWYEUPVWOPIM-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (-)-cinchonidine, (8&alpha, ,9R)-Cinchonan-9-ol, (8a,9R)-Cinchonan-9-ol, 9CI, (8S,9R)-Cinchonidine, &alpha, -quinidine, a-Quinidine, Alpha-quinidine, Cinchonan-9-ol, (8&alpha, , 9R)-, Cinchonan-9-ol, (8&alpha, ,9R)-, Cinchovatine, L-cinchonidine, nchem.180-comp1b, Cinchonine, hexaiodotl(-2) (1:1), (9S)-isomer, Cinchonine, hydrochloride, (9S)-isomer, Cinchonine, monohydrochloride, (9S)-isomer, Cinchonine, sulfate (2:1), (9S)-isomer, (-)-Cinchonidine, (8a,9R)-Cinchonan-9-ol, 9ci, (8alpha ,9R)-Cinchonan-9-ol, alpha -Quinidine, alpha-Quinidine, L-Cinchonidine, Nchem.180-comp1b, Cinchonidine monohydrochloride, Cinchonidine sulfate(2:1), Cinchonidine, (1beta,3alpha,4beta,8alpha,9R)-isomer, Cinchonidine hydrochloride, Cinchonidine |
| Compound Name | alpha-Quinidine |
| Kingdom | Organic compounds |
| Exact Mass | 294.173 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 294.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.4 |
| 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/C19H22N2O/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/h2-7,9,13-14,18-19,22H,1,8,10-12H2 |
| Smiles | C=CC1CN2CCC1CC2C(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