(1R,4Z,7R)-4-ethylidene-7-hydroxy-7,14-dimethyl-6-methylidene-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
| Internal ID | 50349ed4-b974-479b-ac84-fc85fbcd90ed |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha-acyloxy carbonyl compounds > Alpha-acyloxy ketones |
| IUPAC Name | (1R,4Z,7R)-4-ethylidene-7-hydroxy-7,14-dimethyl-6-methylidene-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione |
| SMILES (Canonical) | CC=C1CC(=C)C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O |
| SMILES (Isomeric) | C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN(CC[C@H](C2=O)OC1=O)C)(C)O |
| InChI | InChI=1S/C19H25NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,15,24H,2,7-11H2,1,3-4H3/b13-5-,14-6?/t15-,19-/m1/s1 |
| InChI Key | GRQOJAAONJAOJH-HFTZCKCTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25NO6 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (1R,4Z,7R)-4-ethylidene-7-hydroxy-7,14-dimethyl-6-methylidene-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione](https://plantaedb.com/storage/docs/compounds/2023/11/52aa1050-85eb-11ee-85ee-89145e345151.jpg "2D Structure of (1R,4Z,7R)-4-ethylidene-7-hydroxy-7,14-dimethyl-6-methylidene-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.66% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.04% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.09% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.60% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.44% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.66% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.55% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.65% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.21% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.20% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.37% | 82.69% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.32% | 83.57% |
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.
| Jacobaea uniflora |
| PubChem | 163078082 |
| LOTUS | LTS0084238 |
| wikiData | Q105016349 |