Methyl 3-acetyloxy-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate
| Internal ID | 2e9a6d0a-2710-4106-994d-cb3db138bac8 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | methyl 3-acetyloxy-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate |
| SMILES (Canonical) | CC1C(C(CC2C13COC(C24CCC5(C(C4C(C3O)OC(=O)C)(CCC6(C5(CC(=C)CC6)O)C)C)C(=O)OC)O)O)O |
| SMILES (Isomeric) | CC1C(C(CC2C13COC(C24CCC5(C(C4C(C3O)OC(=O)C)(CCC6(C5(CC(=C)CC6)O)C)C)C(=O)OC)O)O)O |
| InChI | InChI=1S/C32H48O10/c1-16-7-8-27(4)9-10-28(5)23-22(42-18(3)33)24(36)30-15-41-25(37)29(23,20(30)13-19(34)21(35)17(30)2)11-12-31(28,26(38)40-6)32(27,39)14-16/h17,19-25,34-37,39H,1,7-15H2,2-6H3 |
| InChI Key | SHSLNYHFLPFNSE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H48O10 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.32474772 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Methyl 3-acetyloxy-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/95f37e40-83bc-11ee-8ece-6da2a1f30a65.jpg "2D Structure of Methyl 3-acetyloxy-2,13,20,21,25-pentahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate")
| 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 | 98.31% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.91% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.67% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.76% | 91.07% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 92.21% | 95.52% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.14% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.64% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.10% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.95% | 89.50% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 87.23% | 98.57% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.33% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.19% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.48% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.59% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.31% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.91% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.70% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.64% | 97.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.32% | 98.99% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.12% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.25% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.25% | 97.14% |
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.
| Galphimia glauca |
| PubChem | 162913579 |
| LOTUS | LTS0066483 |
| wikiData | Q105253177 |