[9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate
| Internal ID | b3a25dfe-8054-4dab-a073-b627b7b4cad3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2C3(COC(C3C1(C)C)O)C4C(CC5CC4(C(=O)C5COC)C(=O)O2)O |
| SMILES (Isomeric) | CC(=O)OC1CC2C3(COC(C3C1(C)C)O)C4C(CC5CC4(C(=O)C5COC)C(=O)O2)O |
| InChI | InChI=1S/C23H32O9/c1-10(24)31-14-6-15-23(9-30-19(27)17(23)21(14,2)3)16-13(25)5-11-7-22(16,20(28)32-15)18(26)12(11)8-29-4/h11-17,19,25,27H,5-9H2,1-4H3 |
| InChI Key | LZAVQTOGXOKEMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O9 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/081efa20-875f-11ee-bfca-dd6bb13a1c69.jpg "2D Structure of [9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.32% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.33% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.85% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.02% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 87.69% | 89.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.66% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.80% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.63% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.42% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.90% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.81% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.69% | 97.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.53% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.52% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.80% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.08% | 89.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.88% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.82% | 89.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.21% | 97.50% |
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.
| Isodon japonicus |
| PubChem | 73880700 |
| LOTUS | LTS0077016 |
| wikiData | Q105159730 |