(5,13-Dihydroxy-2,6,13-trimethyl-9,12-dioxo-8-oxatricyclo[4.4.3.01,5]tridecan-4-yl) benzoate
| Internal ID | 117e5ed4-08b3-436f-b13a-9546641ff29e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | (5,13-dihydroxy-2,6,13-trimethyl-9,12-dioxo-8-oxatricyclo[4.4.3.01,5]tridecan-4-yl) benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O7/c1-13-9-16(29-18(25)14-7-5-4-6-8-14)22(27)19(2)12-28-17(24)11-21(13,22)10-15(23)20(19,3)26/h4-8,13,16,26-27H,9-12H2,1-3H3 |
| InChI Key | IGSNPWYLRROXQX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (5,13-Dihydroxy-2,6,13-trimethyl-9,12-dioxo-8-oxatricyclo[4.4.3.01,5]tridecan-4-yl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/513-dihydroxy-2613-trimethyl-912-dioxo-8-oxatricyclo443015tridecan-4-yl-benzoate.jpg "2D Structure of (5,13-Dihydroxy-2,6,13-trimethyl-9,12-dioxo-8-oxatricyclo[4.4.3.01,5]tridecan-4-yl) benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.09% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.43% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.62% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.18% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.05% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.69% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.55% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.16% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.84% | 97.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.06% | 83.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.95% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.29% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.20% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.27% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 82.89% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.18% | 93.04% |
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 dunnianum |
| PubChem | 73208252 |
| LOTUS | LTS0137916 |
| wikiData | Q105112797 |