Isokuraramine
PubChem CID: 6325429
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| Compound Synonyms | Isokuraramine, CHEBI:229145, 6-[5-(hydroxymethyl)-1-methylpiperidin-3-yl]pyridin-2-ol |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Is Pains | False |
| Molecular Formula | C12H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CUHBAHMWNDOHGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5833333333333334 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Isokuraramine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.137 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 222.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 222.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2393856 |
| Inchi | InChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16) |
| Smiles | CN1CC(CC(C1)C2=CC=CC(=O)N2)CO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients