2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,5,13-triol
| Internal ID | 6a297263-7f2b-4c19-a2a7-27c93f74b3cd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,5,13-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O3/c1-17(2)15-6-5-12-9-13-10-20(12,8-7-19(13,4)23)18(15,3)11-14(21)16(17)22/h12-16,21-23H,5-11H2,1-4H3 |
| InChI Key | RQDMNTGFNDFLHP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,5,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/26613-tetramethyltetracyclo10310110027hexadecane-4513-triol.jpg "2D Structure of 2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,5,13-triol")
| 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 | 96.75% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.46% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.61% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.91% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.71% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.45% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.51% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.35% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.48% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.38% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.40% | 94.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.69% | 95.62% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.42% | 95.38% |
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.
| Stemodia maritima |
| PubChem | 73880582 |
| LOTUS | LTS0083833 |
| wikiData | Q105243258 |