2,16-Dioxapentacyclo[22.2.2.13,7.117,21.010,15]triaconta-1(26),3,5,7(30),8,10(15),11,13,17,19,21(29),24,27-tridecaene-4,12,22-triol
| Internal ID | c489a3e5-3291-45a3-a45b-4ed0cd9595cf |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 2,16-dioxapentacyclo[22.2.2.13,7.117,21.010,15]triaconta-1(26),3,5,7(30),8,10(15),11,13,17,19,21(29),24,27-tridecaene-4,12,22-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H22O5/c29-22-9-13-27-21(16-22)8-4-19-7-12-25(30)28(15-19)32-23-10-5-18(6-11-23)14-26(31)20-2-1-3-24(17-20)33-27/h1-13,15-17,26,29-31H,14H2 |
| InChI Key | SBCZHIYYNHMOJQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H22O5 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 2,16-Dioxapentacyclo[22.2.2.13,7.117,21.010,15]triaconta-1(26),3,5,7(30),8,10(15),11,13,17,19,21(29),24,27-tridecaene-4,12,22-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8ef070e0-876e-11ee-9834-b3d3b96318a0.jpg "2D Structure of 2,16-Dioxapentacyclo[22.2.2.13,7.117,21.010,15]triaconta-1(26),3,5,7(30),8,10(15),11,13,17,19,21(29),24,27-tridecaene-4,12,22-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.80% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.23% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.42% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.18% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.00% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.33% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.30% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.21% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.09% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.61% | 99.15% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.59% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.84% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.25% | 99.17% |
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.
| Ptychanthus striatus |
| PubChem | 163065841 |
| LOTUS | LTS0095790 |
| wikiData | Q105249319 |