[6-[[7-Acetyloxy-15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Internal ID | 303ef236-236b-471d-9603-97749bfb7ba5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [6-[[7-acetyloxy-15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C |
| SMILES (Isomeric) | CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C |
| InChI | InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3 |
| InChI Key | PVMHLUQSCKSBOW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H64O11 |
| Molecular Weight | 720.90 g/mol |
| Exact Mass | 720.44486285 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of [6-[[7-Acetyloxy-15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/65bf5180-85f9-11ee-95a7-219eb88b6a3e.jpg "2D Structure of [6-[[7-Acetyloxy-15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.95% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.75% | 96.47% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.13% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.55% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 93.09% | 95.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.75% | 98.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 91.56% | 97.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.58% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.89% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.35% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.68% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.99% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.45% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.42% | 94.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.97% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.21% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.19% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.09% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.50% | 92.50% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.44% | 95.36% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 84.85% | 92.78% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.67% | 96.61% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.55% | 95.89% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.47% | 82.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.61% | 95.93% |
| CHEMBL268 | P43235 | Cathepsin K | 83.27% | 96.85% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 83.10% | 99.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.01% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.98% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 82.88% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.33% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.59% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.26% | 97.21% |
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.
| Dysoxylum cumingianum |
| PubChem | 4254395 |
| LOTUS | LTS0227117 |
| wikiData | Q105215518 |