Tylophorine, (-)-
PubChem CID: 10883727
Connections displayed (default: 10).
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| Compound Synonyms | Tylophorine, (-)-, (-)-Tylophorine, 7-Methoxyantofine, 111408-21-0, (-)-(R)-Tylophorine, Tylophorine L-form [MI], 34U46VP03Y, DCB-3500, UNII-34U46VP03Y, (13aR)-9,11,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo(f,H)pyrrolo(1,2-b)isoquinoline, GNF-PF-838, Dibenzo(f,H)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13aR)-, (13aR)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine, CHEMBL258137, SCHEMBL8977400, AKOS040754280, Q27256392 |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (13aR)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C24H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SSEUDFYBEOIWGF-CQSZACIVSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -5.365 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.521 |
| Compound Name | Tylophorine, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 393.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 393.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.352735979310346 |
| Inchi | InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m1/s1 |
| Smiles | COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@@H]4C3)C5=CC(=C(C=C52)OC)OC)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Septica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tylophora Asthmatica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tylophora Crebriflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tylophora Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Tylophora Tanakae (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Vincetoxicum Hirundinaria (Plant) Rel Props:Source_db:cmaup_ingredients