16-Hydroxystrychnidin-10-one
PubChem CID: 264627
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pseudostrychnine, MLS002703508, 16-Hydroxystrychnidin-10-one, 465-62-3, NSC99792, CHEMBL1970129, DTXSID40963589, NSC-99792, NCI60_042242, SMR001570225 |
|---|---|
| Topological Polar Surface Area | 53.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 737.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5a-hydroxy-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 | 1.8 |
| Molecular Formula | C21H22N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCCFPODVEOBUMM-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -3.342 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.825 |
| Compound Name | 16-Hydroxystrychnidin-10-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.163 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.329960830769231 |
| Inchi | InChI=1S/C21H22N2O3/c24-17-9-16-18-13-10-21(25)20(6-7-22(21)11-12(13)5-8-26-16)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2 |
| Smiles | C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2(C61C7=CC=CC=C75)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strychnos Nux-Vomica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all