[(1R,3S,5R,10R,13R,14S)-13-hydroxy-3,10,14-trimethyl-6-oxo-7-propan-2-ylidene-4,16-dioxatricyclo[11.2.1.03,5]hexadecan-10-yl] acetate
| Internal ID | b6a3d259-023b-418c-a7b4-664fdacdc0a8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,3S,5R,10R,13R,14S)-13-hydroxy-3,10,14-trimethyl-6-oxo-7-propan-2-ylidene-4,16-dioxatricyclo[11.2.1.03,5]hexadecan-10-yl] acetate |
| SMILES (Canonical) | CC1CC2CC3(C(O3)C(=O)C(=C(C)C)CCC(CCC1(O2)O)(C)OC(=O)C)C |
| SMILES (Isomeric) | C[C@H]1C[C@@H]2C[C@]3([C@@H](O3)C(=O)C(=C(C)C)CC[C@@](CC[C@]1(O2)O)(C)OC(=O)C)C |
| InChI | InChI=1S/C22H34O6/c1-13(2)17-7-8-20(5,26-15(4)23)9-10-22(25)14(3)11-16(27-22)12-21(6)19(28-21)18(17)24/h14,16,19,25H,7-12H2,1-6H3/t14-,16+,19-,20+,21-,22+/m0/s1 |
| InChI Key | RVAPVOIDEZXMQO-RAXJWKBNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H34O6 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(1R,3S,5R,10R,13R,14S)-13-hydroxy-3,10,14-trimethyl-6-oxo-7-propan-2-ylidene-4,16-dioxatricyclo[11.2.1.03,5]hexadecan-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8fecc9e0-86c9-11ee-906a-8f9bc6314f4d.jpg "2D Structure of [(1R,3S,5R,10R,13R,14S)-13-hydroxy-3,10,14-trimethyl-6-oxo-7-propan-2-ylidene-4,16-dioxatricyclo[11.2.1.03,5]hexadecan-10-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 | 96.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.72% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.34% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.27% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.13% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.70% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.29% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.24% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.87% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.83% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.08% | 94.00% |
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.
| Plicanthus hirtellus |
| PubChem | 76317495 |
| LOTUS | LTS0127967 |
| wikiData | Q105245925 |