Methyl 2-[13-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]-2-methylpropanoate
| Internal ID | 5179bc9f-f3e0-4169-b90a-e7d13ae399f2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | methyl 2-[13-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]-2-methylpropanoate |
| SMILES (Canonical) | CC(=CC(=O)CC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CC(=O)O3)C)C(C)(C)C(=O)OC)C)C)O)C |
| SMILES (Isomeric) | CC(=CC(=O)CC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CC(=O)O3)C)C(C)(C)C(=O)OC)C)C)O)C |
| InChI | InChI=1S/C31H48O6/c1-18(2)14-19(32)16-31(8,35)20-10-12-29(6)21(20)15-22-25-28(5,17-24(33)37-22)23(11-13-30(25,29)7)27(3,4)26(34)36-9/h14,20-23,25,35H,10-13,15-17H2,1-9H3 |
| InChI Key | AVFOOEGJUNXPTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H48O6 |
| Molecular Weight | 516.70 g/mol |
| Exact Mass | 516.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[13-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]-2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/ec4793f0-8695-11ee-ad82-a93179fd8e28.jpg "2D Structure of Methyl 2-[13-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-5,9,10-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-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 | 98.90% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.16% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.72% | 89.34% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.95% | 97.79% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.91% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 87.33% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.75% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.66% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.55% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.28% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.49% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.24% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.79% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.98% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.59% | 95.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.82% | 89.50% |
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.
| Viburnum dilatatum |
| PubChem | 85173608 |
| LOTUS | LTS0087440 |
| wikiData | Q104919467 |