Bisdehydrostemoninine
AlkaPlorer ID: AK001195
Synonym: None
IUPAC Name: (2R,3S,4R,6R)-3-ethyl-3'-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-diene-4,5'-furan]-2'-one
Structure
SMILES: CC[C@H]1[C@H]2[C@@H](CCCN3C2=CC=C3[C@@H]4C[C@@H](C(=O)O4)C)O[C@]15C=C(C(=O)O5)C
InChI: InChI=1S/C22H27NO5/c1-4-14-19-16-8-7-15(18-10-12(2)20(24)26-18)23(16)9-5-6-17(19)27-22(14)11-13(3)21(25)28-22/h7-8,11-12,14,17-19H,4-6,9-10H2,1-3H3/t12-,14-,17+,18-,19+,22-/m0/s1
InChIKey: KKSONBBSOWYZHQ-NHYIYJRYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona tuberosa | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stemona sessilifolia | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.4600000000002
TPSA？: 66.76
MolLogP？: 3.6140000000000025
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Cavia porcellus | Activity | nan | None | 10.1021/np0505317 |
| Cavia porcellus | Cavia porcellus | ED50 | 188.0 | umol.kg-1 | 10.1021/np0505317 |
| Cavia porcellus | Cavia porcellus | Inhibition | 90.0 | % | 10.1021/np0505317 |