N-Methylstenantherine
PubChem CID: 189603
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| Compound Synonyms | N-Methylstenantherine, 119060-81-0, (6ar)-1,2,3-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-11-ol, DTXSID10152307, (6aR)-1,2,3-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-11-ol, DTXCID2074798 |
|---|---|
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aR)-1,2,3-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JEGHXPQPATUVSK-CYBMUJFWSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.795 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.68 |
| Compound Name | N-Methylstenantherine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 341.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 341.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.035423400000001 |
| Inchi | InChI=1S/C20H23NO4/c1-21-9-8-12-16-13(21)10-11-6-5-7-14(22)15(11)17(16)19(24-3)20(25-4)18(12)23-2/h5-7,13,22H,8-10H2,1-4H3/t13-/m1/s1 |
| Smiles | CN1CCC2=C3[C@H]1CC4=C(C3=C(C(=C2OC)OC)OC)C(=CC=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flemingia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients