| Phytochemical Name : Tuberostemonine |
| PCNDIDT0121 |
| Pubchem CID : 100781 |
| Molecular formula: C22H33NO4 |
| Canonical SMILES : CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
Synonymes : Tuberostemonine|6879-01-2|Tuberstemonine|CHEBI:69383|(1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one|Tubero-stemonine|TimTec1_001671|CHEMBL517375|SCHEMBL19197310|HMS1538L21|HY-N0352|MFCD11111456|s9056|AKOS030632869|CCG-268357|NSC 366235|NCGC00017300-02|AC-34126|BS-17448|CS-0008906|Q27137722|Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (2beta(2S,4S))-|(2S,31R,7AR,8R,8aS,11S,11aS,11bR)-8-Ethyl-11-methyl-2-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one|Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.240 |
| Log Po/w (XLOGP3) : 3.900 |
| Log Po/w (WLOGP) : 2.630 |
| Log Po/w (MLOGP) : 3.330 |
| Log Po/w (SILICOS-IT) : 2.260 |
| Consensus Log Po/w : 3.070 |