(1S,3R,9R,10R,14S,15S)-15-ethyl-9-methoxy-3'-methyl-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]spiro[13-oxa-4,11-diazatetracyclo[7.4.2.01,10.04,10]pentadec-7-ene-14,5'-furan]-2',12-dione
| Internal ID | 02d934f9-3e0a-4e2e-a074-94922317cb19 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids > Stichoneurine-type alkaloids |
| IUPAC Name | (1S,3R,9R,10R,14S,15S)-15-ethyl-9-methoxy-3'-methyl-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]spiro[13-oxa-4,11-diazatetracyclo[7.4.2.01,10.04,10]pentadec-7-ene-14,5'-furan]-2',12-dione |
| SMILES (Canonical) | CCC1C2(C=CCCN3C24C(C15C=C(C(=O)O5)C)(CC3C6CC(C(=O)O6)C)OC(=O)N4)OC |
| SMILES (Isomeric) | CC[C@H]1[C@@]2(C=CCCN3[C@@]24[C@]([C@]15C=C(C(=O)O5)C)(C[C@@H]3[C@H]6C[C@H](C(=O)O6)C)OC(=O)N4)OC |
| InChI | InChI=1S/C24H30N2O7/c1-5-17-21(30-4)8-6-7-9-26-15(16-10-13(2)18(27)31-16)12-23(24(21,26)25-20(29)33-23)22(17)11-14(3)19(28)32-22/h6,8,11,13,15-17H,5,7,9-10,12H2,1-4H3,(H,25,29)/t13-,15-,16-,17+,21-,22+,23-,24-/m1/s1 |
| InChI Key | RCEVGJPPQYQRPU-WRBWIVIWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30N2O7 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.20530130 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1S,3R,9R,10R,14S,15S)-15-ethyl-9-methoxy-3'-methyl-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]spiro[13-oxa-4,11-diazatetracyclo[7.4.2.01,10.04,10]pentadec-7-ene-14,5'-furan]-2',12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4b912b80-882c-11ee-bab2-5572bf40b580.jpg "2D Structure of (1S,3R,9R,10R,14S,15S)-15-ethyl-9-methoxy-3'-methyl-3-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]spiro[13-oxa-4,11-diazatetracyclo[7.4.2.01,10.04,10]pentadec-7-ene-14,5'-furan]-2',12-dione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.83% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.54% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.98% | 93.99% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.21% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.93% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.49% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.16% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.24% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.17% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.34% | 97.21% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.29% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.27% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.79% | 90.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.19% | 94.66% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.48% | 95.89% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.43% | 93.65% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.88% | 97.14% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.74% | 98.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Stemona sessilifolia |
| PubChem | 162923033 |
| LOTUS | LTS0150899 |
| wikiData | Q105233598 |