(R)-Pronuciferine
PubChem CID: 628376
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| Compound Synonyms | 17236-29-2, (R)-Pronuciferine, [8'aR,(+)]-2',3',8',8'a-Tetrahydro-5',6'-dimethoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopenta[ij]isoquinoline]-4-one, 5',6'-dimethoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one, ChemDiv2_002092, SCHEMBL2684479, DTXSID201106774, HMS1374P02, AKOS000732402, AKOS022011456, CCG-119547, 10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, 2a(2),3a(2),8a(2),8a(2)a-Tetrahydro-5a(2),6a(2)-dimethoxy-1a(2)-methylspiro[2,5-cyclohexadiene-1,7a(2)(1a(2)H)-cyclopent[ij]isoquinolin]-4-one |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Description | Alkaloid from Nelumbo nucifera (East India lotus). (R)-Pronuciferine is found in many foods, some of which are poppy, coffee and coffee products, sacred lotus, and cherimoya. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 539.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Nih Violation | False |
| Class | Proaporphines |
| Xlogp | 2.5 |
| Superclass | Alkaloids and derivatives |
| Is Pains | False |
| Molecular Formula | C19H21NO3 |
| Inchi Key | WUYQEGNOQLRQAQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | (+)-pronuciferine, Milthanthine, N-methylstepharine, N,o-dimethylcrotonosine, Pronuciferin, Pronuciferine, (+)-Pronuciferine, N,O-Dimethylcrotonosine, N-Methylstepharine |
| Compound Name | (R)-Pronuciferine |
| Kingdom | Organic compounds |
| Exact Mass | 311.152 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 311.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 311.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3 |
| Smiles | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Proaporphines |
- 1. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:fooddb_chem_all