(5,9-Dihydroxy-4,13-dimethyl-3,8-dioxo-2,7,15-trioxatetracyclo[10.2.1.16,9.01,5]hexadec-13-en-16-yl) acetate
| Internal ID | 4c8b6562-9737-4159-8036-9dfd98840e68 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | (5,9-dihydroxy-4,13-dimethyl-3,8-dioxo-2,7,15-trioxatetracyclo[10.2.1.16,9.01,5]hexadec-13-en-16-yl) acetate |
| SMILES (Canonical) | CC1C(=O)OC23C1(C4C(C(CCC(O2)C(=C3)C)(C(=O)O4)O)OC(=O)C)O |
| SMILES (Isomeric) | CC1C(=O)OC23C1(C4C(C(CCC(O2)C(=C3)C)(C(=O)O4)O)OC(=O)C)O |
| InChI | InChI=1S/C17H20O9/c1-7-6-16-17(22,8(2)13(19)26-16)12-11(23-9(3)18)15(21,14(20)24-12)5-4-10(7)25-16/h6,8,10-12,21-22H,4-5H2,1-3H3 |
| InChI Key | SOZLJWBOQDILOM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O9 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (5,9-Dihydroxy-4,13-dimethyl-3,8-dioxo-2,7,15-trioxatetracyclo[10.2.1.16,9.01,5]hexadec-13-en-16-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/fad337a0-85d3-11ee-9eae-e3c9f8c50d5a.jpg "2D Structure of (5,9-Dihydroxy-4,13-dimethyl-3,8-dioxo-2,7,15-trioxatetracyclo[10.2.1.16,9.01,5]hexadec-13-en-16-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.79% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.51% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.03% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.68% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.19% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.78% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.65% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.24% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.86% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.98% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.72% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.63% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.53% | 95.89% |
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.
| Neolitsea aciculata |
| PubChem | 163036030 |
| LOTUS | LTS0072779 |
| wikiData | Q105257292 |