1,5',9a,11a-Tetramethylspiro[1,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydronaphtho[1,2-g][1]benzofuran-2,2'-oxane]-7-one
| Internal ID | 2f45504e-6fa4-4f83-964c-d50c1cb95c88 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | 1,5',9a,11a-tetramethylspiro[1,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydronaphtho[1,2-g][1]benzofuran-2,2'-oxane]-7-one |
| SMILES (Canonical) | CC1CCC2(C(C3(CCC4C(C3O2)CCC5C4(CCC(=O)C5)C)C)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3(CCC4C(C3O2)CCC5C4(CCC(=O)C5)C)C)C)OC1 |
| InChI | InChI=1S/C24H38O3/c1-15-7-12-24(26-14-15)16(2)22(3)11-9-20-19(21(22)27-24)6-5-17-13-18(25)8-10-23(17,20)4/h15-17,19-21H,5-14H2,1-4H3 |
| InChI Key | UESYKCZNUZXPPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H38O3 |
| Molecular Weight | 374.60 g/mol |
| Exact Mass | 374.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 1,5',9a,11a-Tetramethylspiro[1,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydronaphtho[1,2-g][1]benzofuran-2,2'-oxane]-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/c7e73800-8796-11ee-b10a-97ca1acbc0b6.jpg "2D Structure of 1,5',9a,11a-Tetramethylspiro[1,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydronaphtho[1,2-g][1]benzofuran-2,2'-oxane]-7-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.81% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.71% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 91.94% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.51% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.53% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.66% | 93.40% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.31% | 96.43% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.21% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.35% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.82% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.76% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.60% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.39% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.32% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.71% | 85.11% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.46% | 95.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.12% | 92.50% |
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.
| Yucca gloriosa |
| PubChem | 162989984 |
| LOTUS | LTS0118807 |
| wikiData | Q105271123 |