(+)-Folicanthine
PubChem CID: 16720248
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| Compound Synonyms | (+)-folicanthine, CHEBI:38973, (3aR,3a'R,8aS,8a'S)-1,1',8,8'-tetramethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole, (3aS,8bR)-8b-[(3aS,8bR)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole, (3aR,3a'R,8aS,8a'S)-1,1',8,8'-tetramethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo(2,3-b)indole, (3aS,8bR)-8b-((3aS,8bR)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo(2,3-b)indol-8b-yl)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo(2,3-b)indole, NS00094219, Q27118070 |
|---|---|
| Topological Polar Surface Area | 13.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 584.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3aS,8bR)-8b-[(3aS,8bR)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C24H30N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UEOHDZULNTUKEK-ZJZGAYNASA-N |
| Fcsp3 | 0.5 |
| Logs | -4.154 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.899 |
| Compound Name | (+)-Folicanthine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.247 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.247 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 374.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.059241257142857 |
| Inchi | InChI=1S/C24H30N4/c1-25-15-13-23(17-9-5-7-11-19(17)27(3)21(23)25)24-14-16-26(2)22(24)28(4)20-12-8-6-10-18(20)24/h5-12,21-22H,13-16H2,1-4H3/t21-,22-,23-,24-/m0/s1 |
| Smiles | CN1CC[C@]2([C@@H]1N(C3=CC=CC=C32)C)[C@]45CCN([C@H]4N(C6=CC=CC=C56)C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heliotropium Arguzioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polytrichum Ohioense (Plant) Rel Props:Source_db:cmaup_ingredients