alpha-Erythroidine
PubChem CID: 441076
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | alpha-Erythroidine, alpha-Erythroidine [MI], 466-80-8, 0M56M9D8T6, UNII-0M56M9D8T6, 1H,12H-Benzo(I)pyrano(3,4-g)indolizin-12-one, 2,6,8,9,9a,10-hexahydro-2-methoxy-, (2R,9aS,13bS)-, DTXSID10331559, C06531, .ALPHA.-ERYTHROIDINE [MI], (3beta,12beta)-1,2,6,7-Tetradehydro-12,17-dihydro-3-methoxy-16(15H)-oxaerythrinan-15-one, 4-[(R)-hydroxy-[(2S,5R)-5-vinylquinuclidin-2-yl]methyl]quinolin-6-ol, (3.BETA.,12.BETA.)-1,2,6,7-TETRADEHYDRO-12,17-DIHYDRO-3-METHOXY-16(15H)-OXAERYTHRINAN-15-ONE, AC1L9AI2, 4-((R)-hydroxy-((2S,5R)-5-vinylquinuclidin-2-yl)methyl)quinolin-6-ol, (1S,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo(8.7.0.01,13.02,7)heptadeca-2,12,14-trien-4-one, (1S,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-trien-4-one, SureCN4883322, .ALPHA.-ERYTHROIDINE, SCHEMBL4883322, DTXCID10282653, NS00094633, Q27236951 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-trien-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C16H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IXPDLJKEPLTCOU-FFSVYQOJSA-N |
| Fcsp3 | 0.5625 |
| Logs | -2.358 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.509 |
| Compound Name | alpha-Erythroidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 273.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 273.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7206584 |
| Inchi | InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,8,11,13H,4,6-7,9-10H2,1H3/t11-,13+,16+/m1/s1 |
| Smiles | CO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Sinicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Erythrina Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all