(-)-Corydine
PubChem CID: 6993625
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| Compound Synonyms | (-)-Corydine, Corydine, (-)-, (-)-(R)-Corydine, UNII-L28JWY0I8Y, L28JWY0I8Y, 55056-92-3, (6aR)-5,6,6a,7-Tetrahydro-2,10,11-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-1-ol, 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (6aR)-, Q27282615 |
|---|---|
| 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)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IDQUPXZJURZAGF-CYBMUJFWSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.296 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.711 |
| Compound Name | (-)-Corydine |
| 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 | -3.7392730000000003 |
| Inchi | InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m1/s1 |
| Smiles | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Remota (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients