N-Methylhemeanthidine Chloride
PubChem CID: 71452578
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-Methylhemeanthidine Chloride, CHEMBL2208203 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 570.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,13S,15S,18R)-15-methoxy-12-methyl-5,7-dioxa-12-azoniapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol, chloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H22ClNO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HREBYEGWZXGGQO-NJLCQGLKSA-M |
| Fcsp3 | 0.5555555555555556 |
| Logs | -1.752 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.438 |
| Compound Name | N-Methylhemeanthidine Chloride |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 367.119 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.119 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 367.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1960398000000003 |
| Inchi | InChI=1S/C18H22NO5.ClH/c1-19-8-16(20)18(4-3-10(22-2)5-15(18)19)12-7-14-13(23-9-24-14)6-11(12)17(19)21, /h3-4,6-7,10,15-17,20-21H,5,8-9H2,1-2H3, 1H/q+1, /p-1/t10-,15+,16+,17?,18+,19?, /m1./s1 |
| Smiles | C[N+]12C[C@@H]([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4C2O)OCO5)O.[Cl-] |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients