(6,13-Dihydroxy-7-methoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl) acetate
| Internal ID | a2831d67-e9bd-4527-8c09-9cc95f1baeef |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (6,13-dihydroxy-7-methoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H28O6/c1-9-6-12(20)15(22-5)14-11-8-17(3,4)18(11,24-16(14)21)13(7-9)23-10(2)19/h6,11-16,20-21H,7-8H2,1-5H3 |
| InChI Key | CPXYSVMVVCTVMY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O6 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (6,13-Dihydroxy-7-methoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/613-dihydroxy-7-methoxy-41111-trimethyl-12-oxatricyclo632019tridec-4-en-2-yl-acetate.jpg "2D Structure of (6,13-Dihydroxy-7-methoxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.01,9]tridec-4-en-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.90% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.74% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.96% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.15% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.73% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.92% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.75% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.69% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.44% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.54% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.00% | 92.94% |
| CHEMBL5028 | O14672 | ADAM10 | 80.31% | 97.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.07% | 94.80% |
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.
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| There are no matching plants. |
| PubChem | 163065122 |
| LOTUS | LTS0076801 |
| wikiData | Q103817937 |