S-(+)-N-methylcorydine
PubChem CID: 52949574
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| Compound Synonyms | S-(+)-N-methylcorydine, CHEBI:70636, CHEMBL1270256, CHEMBL1617951, BDBM50328682, S-(+)-N-methylcorydine trifluoroacetate, Q27138969 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-2,10,11-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C21H26NO4+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | NSFLIOJSGZVAPX-AWEZNQCLSA-O |
| Fcsp3 | 0.4285714285714285 |
| Logs | 0.243 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.107 |
| Compound Name | S-(+)-N-methylcorydine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.186 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 356.186 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.121278861538462 |
| Inchi | InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)20(23)19-17(13)14(22)10-12-6-7-15(24-3)21(26-5)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1/t14-/m0/s1 |
| Smiles | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Source_db:cmaup_ingredients