5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,15-diol
| Internal ID | 6bd80151-6a51-4e42-badd-bd43e2783a54 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,15-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2CCC(C3)C(=C)C4O)O)C)CO |
| SMILES (Isomeric) | CC1(CCCC2(C1CC(C34C2CCC(C3)C(=C)C4O)O)C)CO |
| InChI | InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3 |
| InChI Key | SMJRKTGCQAVGTN-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) | 60.70 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxymethyl-59-dimethyl-14-methylidenetetracyclo11210110049hexadecane-215-diol.jpg "2D Structure of 5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,15-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.46% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.11% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.82% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.51% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.31% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.55% | 94.75% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 89.18% | 99.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.74% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.45% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.54% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.43% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.41% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.30% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.22% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.27% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.08% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.97% | 92.94% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.54% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.21% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.89% | 90.17% |
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.
| Senna siamea |
| Sideritis arguta |
| Sideritis caesarea |
| Sideritis euboea |
| Sideritis infernalis |
| Sideritis leptoclada |
| Sideritis stricta |
| PubChem | 14239632 |
| LOTUS | LTS0094244 |
| wikiData | Q105219468 |