(-)-Stephanine
PubChem CID: 10335495
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| Compound Synonyms | (-)-Stephanine, (R)-(-)-Stephanine, 8-Methoxy-1,2-(methylenedioxy)-6abeta-aporphine, Stephanin, l-Stephanine, 1,2-methylenedioxy-8-methoxyaporphine, (12R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6.0^{8,20.0^{14,19]icosa-1(20),2(6),7,14(19),15,17-hexaene, 15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UEAPAHNNFSZHMW-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.951 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.934 |
| Compound Name | (-)-Stephanine, (R)-(-)-Stephanine, 8-Methoxy-1,2-(methylenedioxy)-6abeta-aporphine, Stephanin, l-Stephanine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 309.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 309.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.138249956521739 |
| Inchi | InChI=1S/C19H19NO3/c1-20-7-6-11-8-16-19(23-10-22-16)18-12-4-3-5-15(21-2)13(12)9-14(20)17(11)18/h3-5,8,14H,6-7,9-10H2,1-2H3 |
| Smiles | CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Coco (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients