3beta-Acetoxy,5alpha,11,12,13-tetrahydroxy-eudesm-4(15)-ene
| Internal ID | 91198024-aa0b-4194-a21e-70c2ca9fb310 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | [(2S,4aS,7R,8aS)-8a-hydroxy-4a-methyl-1-methylidene-7-(1,2,3-trihydroxypropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CCC2(CCC(CC2(C1=C)O)C(CO)(CO)O)C |
| SMILES (Isomeric) | CC(=O)O[C@H]1CC[C@@]2(CC[C@H](C[C@]2(C1=C)O)C(CO)(CO)O)C |
| InChI | InChI=1S/C17H28O6/c1-11-14(23-12(2)20)5-7-15(3)6-4-13(8-17(11,15)22)16(21,9-18)10-19/h13-14,18-19,21-22H,1,4-10H2,2-3H3/t13-,14+,15+,17-/m1/s1 |
| InChI Key | HWCNZSOYAGQUOW-WBTNSWJXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O6 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | -0.50 |
| C17H28O6 |
| (2R,4aR,7S,8aR)-7-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-8a-hydroxy-4a-methyl-1-methylenedecahydronaphthalen-2-yl rel-acetate |
| 1,2,3-propanetriol, 2-[(2R,4aS,7S,8aS)-7-(acetyloxy)decahydro-8a-hydroxy-4a-methyl-8-methylene-2-naphthalenyl]- |
| Acetic acid 7-(1,2-dihydroxy-1-hydroxymethyl-ethyl)-8a-hydroxy-4a-methyl-1-methylene-decahydro-naphthalen-2-yl ester |
| InChI=1/C17H28O6/c1-11-14(23-12(2)20)5-7-15(3)6-4-13(8-17(11,15)22)16(21,9-18)10-19/h13-14,18-19,21-22H,1,4-10H2,2-3H3/t13-,14+,15+,17-/m1/s |
| 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 | 98.09% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.66% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.24% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.83% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.50% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.49% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.83% | 98.95% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.03% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.55% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.23% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.08% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.06% | 100.00% |
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.
| Achillea holosericea |
| PubChem | 636635 |
| LOTUS | LTS0164235 |
| wikiData | Q105034599 |