2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,9,13-triol
| Internal ID | aa88ada6-faf3-4a62-885e-fe3b18a41290 |
| 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-4,9,13-triol |
| SMILES (Canonical) | CC1(CC(CC2(C1CC(C3C24CCC(C(C3)C4)(C)O)O)C)O)C |
| SMILES (Isomeric) | CC1(CC(CC2(C1CC(C3C24CCC(C(C3)C4)(C)O)O)C)O)C |
| InChI | InChI=1S/C20H34O3/c1-17(2)10-13(21)11-18(3)16(17)8-15(22)14-7-12-9-20(14,18)6-5-19(12,4)23/h12-16,21-23H,5-11H2,1-4H3 |
| InChI Key | XQVVNUQPNCRRAK-UHFFFAOYSA-N |
| Popularity | 0 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 | 2.90 |
| There are no found synonyms. |
![2D Structure of 2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,9,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/26613-tetramethyltetracyclo10310110027hexadecane-4913-triol.jpg "2D Structure of 2,6,6,13-Tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,9,13-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.95% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.83% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.71% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.95% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.71% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.09% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.64% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.97% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.09% | 90.17% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 83.54% | 95.69% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.65% | 85.30% |
| CHEMBL204 | P00734 | Thrombin | 82.32% | 96.01% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.07% | 95.38% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.56% | 92.86% |
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.
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| There are no matching plants. |
| PubChem | 14866129 |
| LOTUS | LTS0026378 |
| wikiData | Q105340124 |