5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol
| Internal ID | 82678231-59c7-4d25-b3aa-0b9c4a9615ce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol |
| SMILES (Canonical) | CC12CCC(C(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)CO)O |
| SMILES (Isomeric) | CC12CCC(C(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)CO)O |
| InChI | InChI=1S/C20H34O4/c1-17-7-6-16(23)18(2,11-21)14(17)5-8-19-9-13(3-4-15(17)19)20(24,10-19)12-22/h13-16,21-24H,3-12H2,1-2H3 |
| InChI Key | NOYMQHDGCKKLAF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/514-bishydroxymethyl-59-dimethyltetracyclo11210110049hexadecane-614-diol.jpg "2D Structure of 5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-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 |
|---|---|---|---|---|
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 95.15% | 87.16% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.03% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.84% | 92.86% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.75% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.91% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.58% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.42% | 97.25% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.55% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.07% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.93% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.86% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.61% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.59% | 95.50% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.47% | 92.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.01% | 91.11% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.78% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.40% | 89.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.51% | 92.62% |
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.
| Beyeria lechenaultii |
| Smallanthus sonchifolius |
| PubChem | 76372163 |
| LOTUS | LTS0088889 |
| wikiData | Q105182901 |