2,6,11-Trihydroxy-14-(methoxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione
| Internal ID | e1040e6e-2a90-45de-addf-b3aab8b5b7ce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 2,6,11-trihydroxy-14-(methoxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione |
| SMILES (Canonical) | CC1(C(CCC2(C1C(=O)C(C34C2C(CC(C3)C(C4=O)COC)O)O)C)O)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1C(=O)C(C34C2C(CC(C3)C(C4=O)COC)O)O)C)O)C |
| InChI | InChI=1S/C21H32O6/c1-19(2)13(23)5-6-20(3)15-12(22)7-10-8-21(15,17(25)11(10)9-27-4)18(26)14(24)16(19)20/h10-13,15-16,18,22-23,26H,5-9H2,1-4H3 |
| InChI Key | SWOWNYLHRGSEJD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O6 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 2,6,11-Trihydroxy-14-(methoxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/471f5ba0-860d-11ee-95c7-09072ba92829.jpg "2D Structure of 2,6,11-Trihydroxy-14-(methoxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.22% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 94.12% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.57% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.39% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.88% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.04% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.80% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.55% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.35% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.28% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.42% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.05% | 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.
| Isodon rubescens |
| PubChem | 85432721 |
| LOTUS | LTS0270624 |
| wikiData | Q105262781 |