16-Propoxystrychnine
PubChem CID: 5320723
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 16-Propoxystrychnine, CHEBI:228954, (8aS,13aS)-5a-propoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
|---|---|
| Topological Polar Surface Area | 42.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 782.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8aS,13aS)-5a-propoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C24H28N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HSSPPKUPUVYOBZ-BHLWPHEPSA-N |
| Fcsp3 | 0.625 |
| Logs | -4.048 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.888 |
| Compound Name | 16-Propoxystrychnine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 392.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.21 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.276097248275863 |
| Inchi | InChI=1S/C24H28N2O3/c1-2-10-29-24-13-16-15-7-11-28-19-12-20(27)26-18-6-4-3-5-17(18)23(24,22(26)21(16)19)8-9-25(24)14-15/h3-7,16,19,21-22H,2,8-14H2,1H3/t16?,19?,21?,22-,23-,24?/m0/s1 |
| Smiles | CCCOC12CC3C4[C@H]5[C@@]16CCN2CC3=CCOC4CC(=O)N5C7=CC=CC=C67 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Strychnos Ignatii (Plant) Rel Props:Source_db:cmaup_ingredients