(2S,7S,8R)-3,3,5,8,11,11-hexamethoxy-7,12-bis(prop-2-enyl)tricyclo[7.2.1.02,7]dodeca-5,9(12)-diene-4,10-dione
| Internal ID | 44d30754-b271-440d-af24-ac7c86b80a60 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (2S,7S,8R)-3,3,5,8,11,11-hexamethoxy-7,12-bis(prop-2-enyl)tricyclo[7.2.1.02,7]dodeca-5,9(12)-diene-4,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32O8/c1-9-11-14-16-20(26)23(29-5,30-6)17(14)18-22(12-10-2,21(16)28-4)13-15(27-3)19(25)24(18,31-7)32-8/h9-10,13,17-18,21H,1-2,11-12H2,3-8H3/t17?,18-,21-,22-/m0/s1 |
| InChI Key | BCJGWXJOKVMZMK-HRWWZFKJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C24H32O8 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (2S,7S,8R)-3,3,5,8,11,11-hexamethoxy-7,12-bis(prop-2-enyl)tricyclo[7.2.1.02,7]dodeca-5,9(12)-diene-4,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a1ffd5d0-8449-11ee-8a94-43f7da983f47.jpg "2D Structure of (2S,7S,8R)-3,3,5,8,11,11-hexamethoxy-7,12-bis(prop-2-enyl)tricyclo[7.2.1.02,7]dodeca-5,9(12)-diene-4,10-dione")
| 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 | 93.11% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.17% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.08% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.04% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.67% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.91% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.79% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.11% | 91.07% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.95% | 97.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.32% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.42% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.04% | 93.00% |
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.
| Asarum fauriei var. takaoi |
| Asarum hexalobum |
| PubChem | 5320526 |
| LOTUS | LTS0209546 |
| wikiData | Q105100465 |