2-Oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-4,10,14-triol
| Internal ID | 2d2591a0-df43-464e-86c5-11fbce6b9812 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,para-diphenylether diarylheptanoids |
| IUPAC Name | 2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-4,10,14-triol |
| SMILES (Canonical) | C1CC(CCC2=CC(=C(C=C2)O)OC3=CC=C(C=C3)C(C1)O)O |
| SMILES (Isomeric) | C1CC(CCC2=CC(=C(C=C2)O)OC3=CC=C(C=C3)C(C1)O)O |
| InChI | InChI=1S/C19H22O4/c20-15-2-1-3-17(21)14-6-9-16(10-7-14)23-19-12-13(4-8-15)5-11-18(19)22/h5-7,9-12,15,17,20-22H,1-4,8H2 |
| InChI Key | RCIAYJYKHJYGJW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-Oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-4,10,14-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-oxatricyclo1322137icosa-117357201518-hexaene-41014-triol.jpg "2D Structure of 2-Oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-4,10,14-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.81% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.08% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.27% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.06% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.51% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.27% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.95% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.32% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.56% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.54% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.26% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.02% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.75% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.71% | 93.99% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.61% | 88.48% |
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.
| Gelsemium elegans |
| PubChem | 10757636 |
| LOTUS | LTS0192429 |
| wikiData | Q105369041 |