(1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-diol
| Internal ID | 1a6de1e1-ab24-40e7-ab6b-5c758ac2f279 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-diol |
| SMILES (Canonical) | CC1CCC2(C(C3CC1C2(C(C3)O)C)(C)C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)C[C@H]3O)C)O |
| InChI | InChI=1S/C15H26O2/c1-9-5-6-15(17)13(2,3)10-7-11(9)14(15,4)12(16)8-10/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12+,14+,15+/m0/s1 |
| InChI Key | FIVPPSZIBGBQNB-WKKWAXIPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1s3r6s7s8r9r-2268-tetramethyltricyclo531038undecane-39-diol.jpg "2D Structure of (1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.41% | 97.25% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 94.19% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.84% | 95.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.63% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.57% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.06% | 92.86% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.01% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.43% | 82.69% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.24% | 95.27% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.20% | 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.
| Pogostemon cablin |
| PubChem | 15484338 |
| LOTUS | LTS0040565 |
| wikiData | Q83083735 |