(2R,10S)-10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
| Internal ID | 65d16af4-1f4c-4233-98e2-966d2d1d6898 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (2R,10S)-10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone |
| SMILES (Canonical) | CCCC1CC2=C(CC(CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O |
| SMILES (Isomeric) | CCC[C@@H]1CC2=C(C[C@@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O |
| InChI | InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1 |
| InChI Key | NRDWUPPIGBHWAS-VHSXEESVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H20O6 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2R,10S)-10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/0df86d60-854b-11ee-92a7-879de5acf8b4.jpg "2D Structure of (2R,10S)-10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.57% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.78% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.68% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.67% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.74% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.93% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.44% | 98.03% |
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 | 102010138 |
| LOTUS | LTS0083739 |
| wikiData | Q77310128 |