(-)-Corydaline
PubChem CID: 638256
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Corydaline, Corydaline, (-)-, UNII-0Y5IX8M26K, 0Y5IX8M26K, 71213-90-6, CHEMBL4130319, 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13R,13aS)-, 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13R-trans)-, 6018-35-5, BDBM50276154, AKOS000277655, Q27231241 |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (13R,13aS)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Prediction Hob | 1.0 |
| Target Id | NPT582 |
| Xlogp | 3.6 |
| Molecular Formula | C22H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VRSRXLJTYQVOHC-ASSNKEHSSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.176 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.359 |
| Compound Name | (-)-Corydaline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 369.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.444647088888889 |
| Inchi | InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m1/s1 |
| Smiles | C[C@H]1[C@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients