[(1R,2R,3S,8R,10R,11R,15S,16S)-10-hydroxy-15-[(2R,3S,5R)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-3-yl] acetate
| Internal ID | 19f03105-cb76-4d72-8ddc-494caef7739e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [(1R,2R,3S,8R,10R,11R,15S,16S)-10-hydroxy-15-[(2R,3S,5R)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-3-yl] acetate |
| SMILES (Canonical) | CC(=CC1CC(C(O1)OC)C2CC=C3C2(CCC4C3(C(CC5C4(C(CC(=O)OC5(C)C)OC(=O)C)C)O)C)C)C |
| SMILES (Isomeric) | CC(=C[C@H]1C[C@H]([C@@H](O1)OC)[C@@H]2CC=C3[C@]2(CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4([C@H](CC(=O)OC5(C)C)OC(=O)C)C)O)C)C)C |
| InChI | InChI=1S/C33H50O7/c1-18(2)14-20-15-21(29(37-9)39-20)22-10-11-23-31(22,6)13-12-24-32(23,7)26(35)16-25-30(4,5)40-28(36)17-27(33(24,25)8)38-19(3)34/h11,14,20-22,24-27,29,35H,10,12-13,15-17H2,1-9H3/t20-,21-,22-,24-,25-,26+,27-,29+,31-,32-,33+/m0/s1 |
| InChI Key | LCZVLEFSLQLZPX-DHSPTILASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H50O7 |
| Molecular Weight | 558.70 g/mol |
| Exact Mass | 558.35565393 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3S,8R,10R,11R,15S,16S)-10-hydroxy-15-[(2R,3S,5R)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b36dda10-8756-11ee-a233-4dfb3e6bcd36.jpg "2D Structure of [(1R,2R,3S,8R,10R,11R,15S,16S)-10-hydroxy-15-[(2R,3S,5R)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.23% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.11% | 98.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.92% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.69% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.36% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.16% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.84% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.88% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.31% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.87% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.71% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.94% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 83.90% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.40% | 92.94% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 80.81% | 91.83% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.65% | 95.89% |
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.
| Luvunga sarmentosa |
| PubChem | 163104838 |
| LOTUS | LTS0081940 |
| wikiData | Q105150104 |