(6aS)-1,2,10-trimethoxy-6a-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
PubChem CID: 162845373
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| Topological Polar Surface Area | 60.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-1,2,10-trimethoxy-6a-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XEZBZEXZYWKCJZ-FQEVSTJZSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.058 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.809 |
| Compound Name | (6aS)-1,2,10-trimethoxy-6a-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol |
| 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 | -3.8590234000000003 |
| Inchi | InChI=1S/C20H23NO4/c1-20-10-12-7-14(22)15(23-2)9-13(12)17-18(20)11(5-6-21-20)8-16(24-3)19(17)25-4/h7-9,21-22H,5-6,10H2,1-4H3/t20-/m0/s1 |
| Smiles | C[C@]12CC3=CC(=C(C=C3C4=C1C(=CC(=C4OC)OC)CCN2)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Septica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Paeonia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients