leontalbinine N-oxide
PubChem CID: 126455735
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| Compound Synonyms | Leontalbinine N-oxide, 147659-05-0, Matridin-15-one, 7,11-didehydro-, 1-oxide, (9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one, (9S,17S)-13-oxido-7-aza-13-azoniatetracyclo(7.7.1.02,7.013,17)heptadec-1-en-6-one, CHEMBL4206586, AKOS040752476, 147731-96-2 |
|---|---|
| Topological Polar Surface Area | 38.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C15H22N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RARGGZIJTFLNNX-GXOJGJIOSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.615 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.373 |
| Compound Name | leontalbinine N-oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.168 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6303885999999996 |
| Inchi | InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11,15H,1-10H2/t11-,15-,17?/m0/s1 |
| Smiles | C1C[C@H]2CN3C(=C4[C@H]2[N+](C1)(CCC4)[O-])CCCC3=O |
| Nring | 14.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients