Myrtine
PubChem CID: 433955
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| Compound Synonyms | Myrtine, 4-methyl-octahydro-1H-quinolizin-2-one, Myrtine Hydrochloride, 4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one, CHEBI:187472 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Alkaloid from Vaccinium myrtillus (bilberry). Epimyrtine is found in fruits and bilberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one |
| Nih Violation | False |
| Class | Quinolizines |
| Xlogp | 1.1 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C10H17NO |
| Inchi Key | GDQCWCOVKFXWMP-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-(3-Aminopropyl)-2-pyrrolidinone, 1-(3-Aminopropyl)-2-pyrrolidone, 1-(3-aminopropyl)pyrrolidin-2-one, 2-Pyrrolidinone, 1-(3-aminopropyl)-, Epimyrtine, N-(3-Aminopropyl)-2-pyrrolidinone, N-(3-Aminopropyl)pyrrolidin-2-one, Myrtine, Myrtine hydrochloride |
| Compound Name | Myrtine |
| Kingdom | Organic compounds |
| Exact Mass | 167.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 167.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 167.25 |
| 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/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3 |
| Smiles | CC1CC(=O)CC2N1CCCC2 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Quinolizines |
- 1. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all