(+)-Magnoflorine Iodide
PubChem CID: 3999
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| Compound Synonyms | (+)-Magnoflorine Iodide, 1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium, Magnoflorine (iodide), alpha-Magnoflorine (iodide), Thalictrine (iodide), SCHEMBL563393, BCP30817, Magnoflorine (Thalictrine, Esholine), STL581374, AKOS040740387, AC-542/20643018, (+)-Magnoflorine, (c) paragraph sign-Magnoflorine, Escholine, Thalictrin, 2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol, 3,16-dihydroxy-4,15-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0(2),?.0(1)(3),(1)?]heptadeca-1(16),2,4,6,13(17),14-hexaen-10-ium, 3,16-DIHYDROXY-4,15-DIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Description | Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol |
| Prediction Hob | 1.0 |
| Class | Aporphines |
| Xlogp | 2.7 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C20H24NO4+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | YLRXAIKMLINXQY-UHFFFAOYSA-O |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (+)-Magnoflorine Iodide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.171 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 342.171 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.9123730000000005 |
| Inchi | InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1 |
| Smiles | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aporphines |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients