[(1R,5S,8S,9R,10S)-8-hydroxy-5,9,10-trimethyl-3,12-dioxo-4,11-dioxatricyclo[6.5.0.01,5]tridecan-9-yl]methyl acetate
| Internal ID | 0a5fdb6b-e510-48c2-bea1-93987d895a0c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [(1R,5S,8S,9R,10S)-8-hydroxy-5,9,10-trimethyl-3,12-dioxo-4,11-dioxatricyclo[6.5.0.01,5]tridecan-9-yl]methyl acetate |
| SMILES (Canonical) | CC1C(C2(CCC3(C2(CC(=O)O1)CC(=O)O3)C)O)(C)COC(=O)C |
| SMILES (Isomeric) | C[C@H]1[C@@]([C@]2(CC[C@]3([C@]2(CC(=O)O1)CC(=O)O3)C)O)(C)COC(=O)C |
| InChI | InChI=1S/C17H24O7/c1-10-14(3,9-22-11(2)18)17(21)6-5-15(4)16(17,7-12(19)23-10)8-13(20)24-15/h10,21H,5-9H2,1-4H3/t10-,14+,15-,16-,17-/m0/s1 |
| InChI Key | NGWVVHGYVMUDDC-XSBNRXJRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H24O7 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [(1R,5S,8S,9R,10S)-8-hydroxy-5,9,10-trimethyl-3,12-dioxo-4,11-dioxatricyclo[6.5.0.01,5]tridecan-9-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0d909420-857d-11ee-9ce7-d90cda86a9bc.jpg "2D Structure of [(1R,5S,8S,9R,10S)-8-hydroxy-5,9,10-trimethyl-3,12-dioxo-4,11-dioxatricyclo[6.5.0.01,5]tridecan-9-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.37% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.37% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.68% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.96% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.55% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.61% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.47% | 89.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.45% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.06% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.86% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.21% | 89.00% |
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.
| Illicium parvifolium subsp. oligandrum |
| PubChem | 25242811 |
| LOTUS | LTS0181200 |
| wikiData | Q105179229 |