(1R,4E,6R,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-8-one
| Internal ID | d262994f-58f7-46dc-bcf3-308811555300 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,4E,6R,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-8-one |
| SMILES (Canonical) | CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1)O)(C)O)C |
| SMILES (Isomeric) | C/C=C/1\C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1)O)(C)O)C |
| InChI | InChI=1S/C18H29NO5/c1-4-12-7-11(2)18(3,22)17(21)24-10-13-14(20)8-19-6-5-15(16(13)19)23-9-12/h4,11,13-16,20,22H,5-10H2,1-3H3/b12-4+/t11-,13+,14-,15-,16-,18-/m1/s1 |
| InChI Key | RASUILXKRVIWQK-HFGSLRCZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H29NO5 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (1R,4E,6R,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/07a4abc0-8599-11ee-aae0-d58afdd22752.jpg "2D Structure of (1R,4E,6R,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.07% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.79% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.50% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.89% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.48% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.40% | 93.40% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.42% | 94.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.91% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.35% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.20% | 99.23% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.86% | 95.92% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.57% | 92.94% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.98% | 97.28% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.40% | 93.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.94% | 90.08% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.90% | 97.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.88% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.32% | 95.89% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.17% | 94.66% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.08% | 97.05% |
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.
| Senecio syringifolius |
| PubChem | 163189223 |
| LOTUS | LTS0210826 |
| wikiData | Q105232851 |