3',5-Dimethyl-13-(4-methyl-5-oxooxolan-2-yl)spiro[3-oxa-1-azatricyclo[8.3.0.02,6]tridec-5-ene-9,5'-oxolane]-2',4-dione
| Internal ID | 1abb7e78-bd70-416c-a9e0-cad261f8e5e8 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Tuberostemospironine-type alkaloids > Croomine-type alkaloids |
| IUPAC Name | 3',5-dimethyl-13-(4-methyl-5-oxooxolan-2-yl)spiro[3-oxa-1-azatricyclo[8.3.0.02,6]tridec-5-ene-9,5'-oxolane]-2',4-dione |
| SMILES (Canonical) | CC1CC(OC1=O)C2CCC3N2C4C(=C(C(=O)O4)C)CCC35CC(C(=O)O5)C |
| SMILES (Isomeric) | CC1CC(OC1=O)C2CCC3N2C4C(=C(C(=O)O4)C)CCC35CC(C(=O)O5)C |
| InChI | InChI=1S/C21H27NO6/c1-10-8-15(26-18(10)23)14-4-5-16-21(9-11(2)19(24)28-21)7-6-13-12(3)20(25)27-17(13)22(14)16/h10-11,14-17H,4-9H2,1-3H3 |
| InChI Key | ZWFSQWLYDLATHD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27NO6 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 389.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3',5-Dimethyl-13-(4-methyl-5-oxooxolan-2-yl)spiro[3-oxa-1-azatricyclo[8.3.0.02,6]tridec-5-ene-9,5'-oxolane]-2',4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/b6b856b0-84e4-11ee-a57e-dfa931dc9b02.jpg "2D Structure of 3',5-Dimethyl-13-(4-methyl-5-oxooxolan-2-yl)spiro[3-oxa-1-azatricyclo[8.3.0.02,6]tridec-5-ene-9,5'-oxolane]-2',4-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 | 92.76% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.85% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.71% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.29% | 93.40% |
| CHEMBL204 | P00734 | Thrombin | 89.56% | 96.01% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.94% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.48% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.37% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.87% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.82% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.79% | 97.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.36% | 86.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.46% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.14% | 93.99% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.85% | 93.67% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.56% | 96.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.65% | 94.00% |
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 | 162888489 |
| LOTUS | LTS0222706 |
| wikiData | Q105384889 |