Sinomendine
PubChem CID: 11759516
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| Compound Synonyms | Sinomendine, CHEBI:132720, 2,8,9-trimethoxy-7-methyl-7H-dibenzo[de,g]quinolin-7-ol, 2,8,9-trimethoxy-7-methyl-7H-dibenzo(de,g)quinolin-7-ol, 5,6,15-trimethoxy-8-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-ol |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,15-trimethoxy-8-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C20H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LQGMCNYUEUTNAW-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.15 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.938 |
| Compound Name | Sinomendine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 337.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.939825 |
| Inchi | InChI=1S/C20H19NO4/c1-20(22)17-13(5-6-15(24-3)18(17)25-4)14-10-12(23-2)9-11-7-8-21-19(20)16(11)14/h5-10,22H,1-4H3 |
| Smiles | CC1(C2=C(C=CC(=C2OC)OC)C3=C4C1=NC=CC4=CC(=C3)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients