Methyl 4,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
| Internal ID | 19dc08bf-e9fa-456a-ac7b-d42806dfd4ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | methyl 4,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate |
| SMILES (Canonical) | CC1CC(C2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O)O |
| SMILES (Isomeric) | CC1CC(C2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O)O |
| InChI | InChI=1S/C16H20O10/c1-6-3-7(17)16(23)13(6)4-8(26-10(19)9(13)18)15(22,12(21)24-2)14(16)5-25-11(14)20/h6-9,17-18,22-23H,3-5H2,1-2H3 |
| InChI Key | JTVRXANWSWLMEV-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H20O10 |
| Molecular Weight | 372.32 g/mol |
| Exact Mass | 372.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -2.40 |
| There are no found synonyms. |
![2D Structure of Methyl 4,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0be98ec0-8436-11ee-aa7b-4f216df52a5e.jpg "2D Structure of Methyl 4,5,7,11-tetrahydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.47% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.46% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.55% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.56% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.47% | 96.77% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.11% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.49% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.32% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.97% | 97.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.55% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.42% | 97.79% |
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.
| Illicium verum |
| PubChem | 85216671 |
| LOTUS | LTS0085346 |
| wikiData | Q105135032 |