Echinorine
PubChem CID: 442898
Connections displayed (default: 10).
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| Compound Synonyms | Echinorine, 18095-64-2, 4-methoxy-1-methylquinolin-1-ium, Quinolinium, 4-methoxy-1-methyl-, C10665, AC1L9DLQ, SureCN6334665, CHEBI:4750, SCHEMBL6334665, DTXSID70939393, 4-methoxy-1-methyl-quinolin-1-ium, Methyl(1-methylquinolin-4(1H)-ylidene)oxidanium, Q27106466 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-1-methylquinolin-1-ium |
| Prediction Hob | 0.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H12NO+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPTSUNASDHGNQY-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.879 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.793 |
| Compound Name | Echinorine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.092 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 174.092 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 174.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2093133692307694 |
| Inchi | InChI=1S/C11H12NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8H,1-2H3/q+1 |
| Smiles | C[N+]1=CC=C(C2=CC=CC=C21)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinops Ritro (Plant) Rel Props:Source_db:cmaup_ingredients