[13,16-Dihydroxy-5-(hydroxymethyl)-2,11,12-trimethyl-6-oxo-7,17-dioxapentacyclo[10.3.1.13,15.05,15.08,13]heptadec-1-en-10-yl] 2-methylbut-2-enoate
| Internal ID | f25533b6-d8f1-4aba-8ca0-e22ad710da3a |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [13,16-dihydroxy-5-(hydroxymethyl)-2,11,12-trimethyl-6-oxo-7,17-dioxapentacyclo[10.3.1.13,15.05,15.08,13]heptadec-1-en-10-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC2C3(CC45C(=C(C(O4)CC5(C(=O)O2)CO)C)C(C3(C1C)C)O)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC2C3(CC45C(=C(C(O4)CC5(C(=O)O2)CO)C)C(C3(C1C)C)O)O |
| InChI | InChI=1S/C24H32O8/c1-6-11(2)19(27)30-14-7-16-23(29)9-24-17(18(26)21(23,5)13(14)4)12(3)15(32-24)8-22(24,10-25)20(28)31-16/h6,13-16,18,25-26,29H,7-10H2,1-5H3 |
| InChI Key | FOZQBGDKDRNWNN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O8 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of [13,16-Dihydroxy-5-(hydroxymethyl)-2,11,12-trimethyl-6-oxo-7,17-dioxapentacyclo[10.3.1.13,15.05,15.08,13]heptadec-1-en-10-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/fd60bb00-8574-11ee-a5ef-b91456f42f71.jpg "2D Structure of [13,16-Dihydroxy-5-(hydroxymethyl)-2,11,12-trimethyl-6-oxo-7,17-dioxapentacyclo[10.3.1.13,15.05,15.08,13]heptadec-1-en-10-yl] 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.03% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.84% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.38% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.69% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.23% | 86.92% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.64% | 90.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.37% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.95% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.23% | 97.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.95% | 80.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.56% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.54% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.32% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.28% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.16% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.10% | 93.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.68% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.62% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.55% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.09% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.98% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.60% | 91.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.45% | 94.75% |
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.
| Ligularia veitchiana |
| PubChem | 163087520 |
| LOTUS | LTS0051493 |
| wikiData | Q104999049 |