5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,6-diol
| Internal ID | 17f9e27d-2992-440b-b298-a49756fae1fc |
| 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-2,6-diol |
| SMILES (Canonical) | CC12CCC(C(C1CC(C34C2CCC(C3)C(=C)C4)O)(C)CO)O |
| SMILES (Isomeric) | CC12CCC(C(C1CC(C34C2CCC(C3)C(=C)C4)O)(C)CO)O |
| InChI | InChI=1S/C20H32O3/c1-12-9-20-10-13(12)4-5-14(20)18(2)7-6-16(22)19(3,11-21)15(18)8-17(20)23/h13-17,21-23H,1,4-11H2,2-3H3 |
| InChI Key | ZHAIQJLGKAVXSD-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 | 3.20 |
| There are no found synonyms. |
![2D Structure of 5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxymethyl-59-dimethyl-14-methylidenetetracyclo11210110049hexadecane-26-diol.jpg "2D Structure of 5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,6-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.64% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.36% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.94% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.64% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.02% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.35% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.28% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.09% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.18% | 94.45% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.08% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.60% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.95% | 94.75% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.44% | 98.10% |
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 argyrea |
| Sideritis bourgeana |
| Sideritis congesta |
| Sideritis hirsuta |
| Sideritis niveotomentosa |
| Sideritis perfoliata subsp. athoa |
| Sideritis stricta |
| Sideritis tragoriganum |
| PubChem | 12309906 |
| LOTUS | LTS0224909 |
| wikiData | Q104392865 |