NCGC00384783-01_C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)-
| Internal ID | 587dca61-0c02-4ece-9818-4fd9e8e6d837 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stenine-type alkaloids |
| IUPAC Name | (1R,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-3,13-dione |
| SMILES (Canonical) | CCC1C2CCCCN3C2C(CC3=O)C4C1OC(=O)C4C |
| SMILES (Isomeric) | CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](CC3=O)[C@@H]4[C@H]1OC(=O)[C@H]4C |
| InChI | InChI=1S/C17H25NO3/c1-3-10-11-6-4-5-7-18-13(19)8-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1 |
| InChI Key | HHVLDUXNKYSRDS-BKQRAYJDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H25NO3 |
| Molecular Weight | 291.40 g/mol |
| Exact Mass | 291.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 2.30 |
| NCGC00384783-01_C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)- |
![2D Structure of NCGC00384783-01_C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)-](https://plantaedb.com/storage/docs/compounds/2023/11/ee64c280-8589-11ee-a483-cb1dfb47a0d1.jpg "2D Structure of NCGC00384783-01_C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)-")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 94.69% | 91.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.14% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.50% | 96.09% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 87.23% | 95.27% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.83% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.81% | 97.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.70% | 93.04% |
| CHEMBL3974 | P25116 | Proteinase-activated receptor 1 | 84.67% | 97.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.33% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.26% | 85.14% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.77% | 94.78% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.72% | 98.46% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.65% | 99.29% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.09% | 86.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.04% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.63% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.14% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.13% | 96.43% |
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 |
| Stemona tuberosa |
| PubChem | 56776320 |
| LOTUS | LTS0134147 |
| wikiData | Q105028615 |