neotuberostemonine
AlkaPlorer ID: AK017630
Synonym: '', 'Tuberostemonine', 'Tuberostemonine LG', '(2S,7aR,8R,8aR,11S,11aR,11bS,11cR)-8-Ethyl-11-methyl-2-(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyldodecahydroazepino3,2,1-hifuro3,2-eindol-10(2H)-one', 'Neotuberostemonine', '(9alpha)-Neotuberostemonine', '(+)-Tuberostemonine H', 'tuberostemonine K', '(+)-Tuberostemonine J', 'Stemonine LG', 'tuberostemonine N', 'Tuberostemonine J', '(9alpa,9aalpha)-Neotuberostemonin', '(-)-Tuberostemonine K', 'Tuberostemonine K', 'Tuberostemonine H', 'tuberostemonine', 'Tuberostemonine B', 'Tuberostemonine A', 'Tuberostemonine C', 'Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-,(2beta(2S,4S))-', '(-)-Tuberostemonine', '(2S,7aR,8R,8aS,11R,11aS,11bR,11cR)-8-Ethyl-11-methyl-2-(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyldodecahydroazepino3,2,1-hifuro3,2-eindol-10(2H)-one'
IUPAC Name: (1S,3S,9R,10R,11S,14S,15S,16S)-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
Structure
SMILES: CC[C@@H]1[C@H]2CCCCN3[C@@H]2[C@@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@@H]2[C@H]1OC(=O)[C@H]2C
InChI: InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17-,18+,19-,20-/m0/s1
InChIKey: GYOGHROCTSEKDY-WLFKMKKCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona japonica | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.5090000000002
TPSA？: 55.84
MolLogP？: 3.0147000000000013
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 10000.0 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 39810.7 | nM | None |