(S)-Neolitsine
PubChem CID: 12313196
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| Compound Synonyms | (S)-Neolitsine, 2466-42-4, 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene, 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo(10.10.1.02,10.04,8.016,23.018,22)tricosa-1(23),2,4(8),9,16,18(22)-hexaene, (e)-2-Tetracosenoate, CHEBI:174350, CAA46642, (12S)-13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0^{2,10.0^{4,8.0^{16,23.0^{18,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | GKEOKAJRKHTDOS-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Substituent Name | Aporphine, Benzylisoquinoline, Phenanthrene, Benzoquinoline, Tetrahydroisoquinoline, Quinoline, Naphthalene, Benzodioxole, Aralkylamine, Benzenoid, Tertiary aliphatic amine, Tertiary amine, Oxacycle, Azacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound |
| Synonyms | Neolitsine |
| Heavy Atom Count | 24.0 |
| Compound Name | (S)-Neolitsine |
| Kingdom | Organic compounds |
| Description | Alkaloid from the leaves of Laurus nobilis (bay laurel). (S)-Neolitsine is found in tea, sweet bay, and herbs and spices. |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 323.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Aporphines |
| Inchi | InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3 |
| Smiles | CN1CCC2=CC3=C(C4=C2C1CC5=CC6=C(C=C54)OCO6)OCO3 |
| Xlogp | 3.1 |
| Superclass | Alkaloids and derivatives |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H17NO4 |
- 1. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all