(1S,5S,7Z,11S,13R,14S)-13-hydroxy-7,11-dimethyl-14-prop-1-en-2-yl-4,16-dioxatricyclo[11.2.1.12,5]heptadeca-2(17),7-diene-3,9,12-trione
| Internal ID | 06e36856-d6fd-4ffd-a3a1-eba3b4f0fb4c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1S,5S,7Z,11S,13R,14S)-13-hydroxy-7,11-dimethyl-14-prop-1-en-2-yl-4,16-dioxatricyclo[11.2.1.12,5]heptadeca-2(17),7-diene-3,9,12-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O6/c1-10(2)16-9-17-15-8-14(25-19(15)23)6-11(3)5-13(21)7-12(4)18(22)20(16,24)26-17/h5,8,12,14,16-17,24H,1,6-7,9H2,2-4H3/b11-5-/t12-,14-,16-,17-,20+/m0/s1 |
| InChI Key | LJQPUSXPSUZLOQ-MTNMWMNMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1S,5S,7Z,11S,13R,14S)-13-hydroxy-7,11-dimethyl-14-prop-1-en-2-yl-4,16-dioxatricyclo[11.2.1.12,5]heptadeca-2(17),7-diene-3,9,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/7999bae0-8643-11ee-86c7-a727999a4733.jpg "2D Structure of (1S,5S,7Z,11S,13R,14S)-13-hydroxy-7,11-dimethyl-14-prop-1-en-2-yl-4,16-dioxatricyclo[11.2.1.12,5]heptadeca-2(17),7-diene-3,9,12-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.84% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.64% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.22% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.69% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.78% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.11% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.55% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.50% | 97.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.39% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.99% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.18% | 91.49% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 82.09% | 92.67% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.97% | 86.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.68% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.53% | 97.09% |
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.
| There are no matching plants. |
| PubChem | 163186566 |
| LOTUS | LTS0134812 |
| wikiData | Q105152726 |