5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14-diol
| Internal ID | 730767ac-4078-4b3d-9cd6-6818e9fcd958 |
| 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-7,14-diol |
| SMILES (Canonical) | CC1(CC(CC2(C1CCC34C2CCC(C3)C(C4)(CO)O)C)O)CO |
| SMILES (Isomeric) | CC1(CC(CC2(C1CCC34C2CCC(C3)C(C4)(CO)O)C)O)CO |
| InChI | InChI=1S/C20H34O4/c1-17(11-21)8-14(23)9-18(2)15(17)5-6-19-7-13(3-4-16(18)19)20(24,10-19)12-22/h13-16,21-24H,3-12H2,1-2H3 |
| InChI Key | COMXNNJQOALRDW-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 | 2.10 |
| There are no found synonyms. |
![2D Structure of 5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/514-bishydroxymethyl-59-dimethyltetracyclo11210110049hexadecane-714-diol.jpg "2D Structure of 5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14-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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.05% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.86% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.02% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.58% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.13% | 91.11% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.09% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.85% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.18% | 95.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.46% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.33% | 82.69% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 80.96% | 87.16% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.88% | 89.05% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.75% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.65% | 95.89% |
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.
| Pteris multifida |
| PubChem | 163103704 |
| LOTUS | LTS0045439 |
| wikiData | Q104967161 |