Octahydro-quinolizine-1-carboxylic acid
PubChem CID: 558135
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| Compound Synonyms | octahydro-quinolizine-1-carboxylic acid, 90978-66-8, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid, DTXSID70339733, Octahydro-2H-quinolizine-1-carboxylic acid, Lupininic acid, starbld0001196, SCHEMBL4037708, DTXCID10290814, ALBB-030781, AKOS015938849, SB45177 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Lupinic acid, also known as lupinate, is a member of the class of compounds known as lupinine-type alkaloids. Lupinine-type alkaloids are lupin alkaloids with a structure based on the lupinine skeleton, which is a bicyclic compound consisting of a quinolizidine. Lupinic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Lupinic acid can be found in watermelon, which makes lupinic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid |
| Nih Violation | False |
| Class | Lupin alkaloids |
| Xlogp | -1.1 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Subclass | Lupinine-type alkaloids |
| Molecular Formula | C10H17NO2 |
| Inchi Key | ZYQJGZAVMHNFNY-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Octahydro-quinolizine-1-carboxylate, Lupinate |
| Compound Name | Octahydro-quinolizine-1-carboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 183.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 183.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 183.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13) |
| Smiles | C1CCN2CCCC(C2C1)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Lupinine-type alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all