(+)-Argemonine
PubChem CID: 1551634
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-argemonine, (R,R)-N-methylpavine, (R,R)-argemonine, CHEBI:77059, (1R,9R)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene, 16584-62-6, (5R,11R)-2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene, (1R,9R)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo(7.7.1.02,7.010,15)heptadeca-2,4,6,10,12,14-hexaene, (5R,11R)-2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo(a,e)(8)annulene, (5R)-5,6,11,12-Tetrahydro-2,3,8,9-tetramethoxy-N-methyldibenzo[a,e]cycloocten-5alpha,11alpha-imine, Q27146594 |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,9R)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C21H25NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QEOWCPFWLCIQSL-IAGOWNOFSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.278 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.021 |
| Compound Name | (+)-Argemonine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 355.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 355.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.181329261538462 |
| Inchi | InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16-,17-/m1/s1 |
| Smiles | CN1[C@@H]2CC3=CC(=C(C=C3[C@H]1CC4=CC(=C(C=C24)OC)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Argemone Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thalictrum Minus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Thalictrum Rugosum (Plant) Rel Props:Source_db:cmaup_ingredients