[17-Hydroxy-13-(methoxymethyl)-8,12-dimethyl-2,7,15,19-tetraoxo-14-oxa-18-azapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-en-10-yl] 2-methylpropanoate
| Internal ID | b3bca209-3853-46de-8749-d413b2377849 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | [17-hydroxy-13-(methoxymethyl)-8,12-dimethyl-2,7,15,19-tetraoxo-14-oxa-18-azapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-en-10-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5C4(C3=O)C(=O)NC5O)COC)C)C |
| SMILES (Isomeric) | CC(C)C(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5C4(C3=O)C(=O)NC5O)COC)C)C |
| InChI | InChI=1S/C25H31NO9/c1-10(2)20(30)34-12-8-23(3)11(6-7-13(23)27)15-16(12)24(4)14(9-33-5)35-21(31)17-19(29)26-22(32)25(17,24)18(15)28/h10-12,14,17,19,29H,6-9H2,1-5H3,(H,26,32) |
| InChI Key | QLBVXPPJNPNFMF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31NO9 |
| Molecular Weight | 489.50 g/mol |
| Exact Mass | 489.19988157 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of [17-Hydroxy-13-(methoxymethyl)-8,12-dimethyl-2,7,15,19-tetraoxo-14-oxa-18-azapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-en-10-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5a7883e0-853e-11ee-ad2c-016d03252381.jpg "2D Structure of [17-Hydroxy-13-(methoxymethyl)-8,12-dimethyl-2,7,15,19-tetraoxo-14-oxa-18-azapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-en-10-yl] 2-methylpropanoate")
| 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 | 97.90% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.24% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.49% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.95% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.51% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.10% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.78% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.51% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 162814356 |
| LOTUS | LTS0079476 |
| wikiData | Q104195931 |