(1S,2R,5R,6R,8S,12R)-5-(hydroxymethyl)-1,9,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol
| Internal ID | e1cbed2d-61b8-4bb3-b40a-b31cf68a0279 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,2R,5R,6R,8S,12R)-5-(hydroxymethyl)-1,9,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol |
| SMILES (Canonical) | CC1(C2CC3C(CCC3C(O1)(CC2O)C)CO)C |
| SMILES (Isomeric) | C[C@]12C[C@H]([C@H](C[C@H]3[C@H]1CC[C@H]3CO)C(O2)(C)C)O |
| InChI | InChI=1S/C15H26O3/c1-14(2)12-6-10-9(8-16)4-5-11(10)15(3,18-14)7-13(12)17/h9-13,16-17H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,15-/m0/s1 |
| InChI Key | QYJHNZNMWDPTQF-RUMBQMOCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,6R,8S,12R)-5-(hydroxymethyl)-1,9,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r5r6r8s12r-5-hydroxymethyl-199-trimethyl-10-oxatricyclo622026dodecan-12-ol.jpg "2D Structure of (1S,2R,5R,6R,8S,12R)-5-(hydroxymethyl)-1,9,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol")
| 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 | 96.69% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.39% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.59% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.51% | 97.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.31% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.05% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.58% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.78% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.60% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.69% | 92.94% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.46% | 86.92% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.97% | 95.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.42% | 98.46% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.19% | 97.25% |
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.
| Croton pulegiodorus |
| Dichrostachys cinerea |
| PubChem | 163015850 |
| LOTUS | LTS0122206 |
| wikiData | Q105212937 |