Epinorgalanthamine
PubChem CID: 443721
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| Compound Synonyms | Epinorgalanthamine, 156040-03-8, epi-Norgalanthamine, Epi Norgalanthamine, N-Desmethyl-epigalantamine, Galantamine metabolite M16, TN3JC254YN, UNII-TN3JC254YN, CHEMBL3604339, (1S,12S,14S)-9-Methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol, Galanthamine, 10-demethyl-, (3alpha)-, (4aS,6S,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-6H-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-, (4aS,6S,8aS)-, 1373360-92-9, b-D-Glucopyranosiduronic Acid Propyl Methyl Ester, 2,3,4-Triacetate, BDBM50116352, beta-D-Glucopyranosiduronic Acid Propyl Methyl Ester, 2,3,4-Triacetate, GALANTHAMINE, 10-DEMETHYL-, (3.ALPHA.)-, Epi Norgalanthamine, 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-, (4aS,6S,8aS)-, Galanthamine, 10-demethyl-, (3a)-, (4aS,6S,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 6H-Benzofuro[3a,3,2-ef][2]benzaz |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,12S,14S)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C16H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AIXQQSTVOSFSMO-FFSVYQOJSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.076 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.819 |
| Compound Name | Epinorgalanthamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 273.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 273.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5537584 |
| Inchi | InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13+,16+/m1/s1 |
| Smiles | COC1=C2C3=C(CNCC[C@]34C=C[C@H](C[C@@H]4O2)O)C=C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atriplex Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Crotalaria Crispata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Eupatorium Laevigatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Haplopappus Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Hesperocyparis Arizonica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Viburnum Lantana (Plant) Rel Props:Source_db:cmaup_ingredients