(14-Hydroxy-5,5,9-trimethyl-11-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate
| Internal ID | ee781ff4-09c7-4849-81b1-13bbead63e85 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (14-hydroxy-5,5,9-trimethyl-11-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CC23CCC4C(CCCC4(C2C(=O)CC1C3)C)(C)C)O |
| SMILES (Isomeric) | CC(=O)OCC1(CC23CCC4C(CCCC4(C2C(=O)CC1C3)C)(C)C)O |
| InChI | InChI=1S/C22H34O4/c1-14(23)26-13-22(25)12-21-9-6-17-19(2,3)7-5-8-20(17,4)18(21)16(24)10-15(22)11-21/h15,17-18,25H,5-13H2,1-4H3 |
| InChI Key | FSXAFKCSUNTGFS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (14-Hydroxy-5,5,9-trimethyl-11-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/14-hydroxy-559-trimethyl-11-oxo-14-tetracyclo11210110049hexadecanylmethyl-acetate.jpg "2D Structure of (14-Hydroxy-5,5,9-trimethyl-11-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)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 | 97.75% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.55% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.06% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.11% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.75% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.12% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.38% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.48% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.20% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.21% | 97.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.82% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.77% | 86.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.65% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.62% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.24% | 100.00% |
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.
| Callicarpa macrophylla |
| PubChem | 162880673 |
| LOTUS | LTS0127362 |
| wikiData | Q105000913 |