(6aS)-2,3,10,11-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
PubChem CID: 162859217
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| Topological Polar Surface Area | 60.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-2,3,10,11-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C21H25NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WLPRMOITFOIWQB-ZDUSSCGKSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.277 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.489 |
| Compound Name | (6aS)-2,3,10,11-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.110373488888889 |
| Inchi | InChI=1S/C21H25NO5/c1-22-9-8-12-16-13(22)10-11-6-7-14(24-2)20(26-4)15(11)17(16)18(23)21(27-5)19(12)25-3/h6-7,13,23H,8-10H2,1-5H3/t13-/m0/s1 |
| Smiles | CN1CCC2=C3[C@@H]1CC4=C(C3=C(C(=C2OC)OC)O)C(=C(C=C4)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phillyrea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients