[15-Hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
| Internal ID | 358917a7-7b07-42d6-9cb3-03b049ff971a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [15-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2C(CCCC2(C3C14CC(CC3)C(=C)C4O)C)(C)CO |
| SMILES (Isomeric) | CC(=O)OC1CC2C(CCCC2(C3C14CC(CC3)C(=C)C4O)C)(C)CO |
| InChI | InChI=1S/C22H34O4/c1-13-15-6-7-16-21(4)9-5-8-20(3,12-23)17(21)10-18(26-14(2)24)22(16,11-15)19(13)25/h15-19,23,25H,1,5-12H2,2-4H3 |
| InChI Key | MMPSMJLFQSNILL-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) | 66.80 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [15-Hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/62fe6b90-8755-11ee-8ffc-3f71237b26ea.jpg "2D Structure of [15-Hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 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 | 96.41% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.50% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.24% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.26% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.16% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.71% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.58% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.19% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.55% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.53% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.94% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.90% | 98.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.16% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.80% | 93.04% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.61% | 95.38% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.64% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.17% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.07% | 92.62% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.95% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.63% | 92.94% |
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.
| Sideritis arguta |
| Sideritis caesarea |
| Sideritis euboea |
| Sideritis leptoclada |
| Sideritis stricta |
| PubChem | 56663970 |
| LOTUS | LTS0213166 |
| wikiData | Q105167971 |