5,7,11,13,14,16-Hexamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.019,23.017,30]triaconta-1(27),11,14,25,28-pentaene-18,20,22-trione
| Internal ID | b3803e0e-c376-41f7-a7ea-9720a441db6a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 5,7,11,13,14,16-hexamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.019,23.017,30]triaconta-1(27),11,14,25,28-pentaene-18,20,22-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H41NO4/c1-15-11-16(2)24-22(12-15)25-19(5)28-18(4)17(3)14-34(28,6)29-27(25)31(24)39-21-9-7-20(8-10-21)13-23-26(30(29)36)33(38)35-32(23)37/h7-10,14-16,18,22-27,29,31H,11-13H2,1-6H3,(H,35,37,38) |
| InChI Key | UKJXAQYJWFBJPH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H41NO4 |
| Molecular Weight | 527.70 g/mol |
| Exact Mass | 527.30355879 g/mol |
| Topological Polar Surface Area (TPSA) | 72.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 5,7,11,13,14,16-Hexamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.019,23.017,30]triaconta-1(27),11,14,25,28-pentaene-18,20,22-trione](https://plantaedb.com/storage/docs/compounds/2023/11/6e183130-870f-11ee-b9b6-d99af8e18dfc.jpg "2D Structure of 5,7,11,13,14,16-Hexamethyl-2-oxa-21-azaheptacyclo[23.2.2.13,10.04,9.012,16.019,23.017,30]triaconta-1(27),11,14,25,28-pentaene-18,20,22-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 |
|---|---|---|---|---|
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 95.50% | 86.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.07% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.06% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.38% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.46% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.91% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.69% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.56% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.32% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.89% | 97.05% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.89% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.41% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.33% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.17% | 86.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.65% | 92.97% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.45% | 83.82% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.08% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.96% | 94.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.69% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.67% | 92.94% |
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.
| Thalassia hemprichii |
| PubChem | 162863511 |
| LOTUS | LTS0204275 |
| wikiData | Q105212380 |