(1R,3S,6R,7Z,10R,11R,14S,15S,20S)-7-ethylidene-6,10,15,19-tetramethyl-17-oxa-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docosan-8-one
| Internal ID | 07d23418-297a-4c5a-b303-cd8a1747feeb |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 16-oxosteroids |
| IUPAC Name | (1R,3S,6R,7Z,10R,11R,14S,15S,20S)-7-ethylidene-6,10,15,19-tetramethyl-17-oxa-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docosan-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H39NO2/c1-6-17-18(28)13-24(4)20-8-7-19-22(2)15-29-16-27(5)21(22)9-10-25(19)14-26(20,25)12-11-23(17,24)3/h6,19-21H,7-16H2,1-5H3/b17-6+/t19-,20-,21+,22+,23+,24-,25-,26+/m1/s1 |
| InChI Key | LQEYGBHACPWUTB-ASHNFCJTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H39NO2 |
| Molecular Weight | 397.60 g/mol |
| Exact Mass | 397.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (1R,3S,6R,7Z,10R,11R,14S,15S,20S)-7-ethylidene-6,10,15,19-tetramethyl-17-oxa-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docosan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1ad9db80-8602-11ee-a05c-fda9993f8c60.jpg "2D Structure of (1R,3S,6R,7Z,10R,11R,14S,15S,20S)-7-ethylidene-6,10,15,19-tetramethyl-17-oxa-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docosan-8-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.19% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.27% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.70% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.49% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.58% | 93.40% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.77% | 94.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.90% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.74% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.53% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.11% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.74% | 93.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.70% | 85.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.89% | 89.34% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.36% | 97.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.20% | 95.53% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.10% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.99% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.79% | 96.38% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.53% | 95.92% |
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.
| Buxus sempervirens |
| PubChem | 162877442 |
| LOTUS | LTS0084878 |
| wikiData | Q104888237 |