14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-11-one
| Internal ID | 6fab3bc5-6659-4656-8322-1abfba58106a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-11-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2C(=O)CC(C3)C(C4)(CO)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2C(=O)CC(C3)C(C4)(CO)O)C)C |
| InChI | InChI=1S/C20H32O3/c1-17(2)6-4-7-18(3)15(17)5-8-19-10-13(9-14(22)16(18)19)20(23,11-19)12-21/h13,15-16,21,23H,4-12H2,1-3H3 |
| InChI Key | BYSCILLICJJVAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/14-hydroxy-14-hydroxymethyl-559-trimethyltetracyclo11210110049hexadecan-11-one.jpg "2D Structure of 14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-11-one")
| 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 | 96.37% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.57% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.38% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.35% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.84% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.88% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.02% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.28% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.29% | 97.05% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.95% | 93.31% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.69% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.35% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.72% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.38% | 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 | 12302254 |
| LOTUS | LTS0183526 |
| wikiData | Q104949802 |