Artabotrine
PubChem CID: 48704
Connections displayed (default: 10).
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| Compound Synonyms | Luteanine, 36284-37-4, Izokoridin, Artabotrine, 1,2,10-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol, Luteanine (aporphine), NSC32979, NSC645316, (+)-S-Isocorydine, Lindcarpine,O-dimethyl-, Lindcarpine,O-dimethyl-*, Compound NP-025375, Lindcarpine, N,O-dimethyl-*, CHEMBL4296916, SCHEMBL11243442, 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (+-), QELDJEKNFOQJOY-UHFFFAOYSA-N, HMS3373F17, Aporphin-11-ol,2,10-trimethoxy-, AKOS040736748, 6a.alpha.-Aporphin-11-ol,2,10-trimethoxy-, 6a.alpha.-Aporphin-11-ol, 1,2,10-trimethoxy-, AE-508/21134021, 4H-Dibenzo[de, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)- |
|---|---|
| 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 | 0.0 |
| Iupac Name | 1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QELDJEKNFOQJOY-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Artabotrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 341.163 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 | -3.733023400000001 |
| Inchi | InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3 |
| Smiles | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
| 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