2-[2'-(Hydroxymethyl)-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethanol
| Internal ID | 921503d6-07eb-4758-94a4-dd930b8e3ad3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | 2-[2'-(hydroxymethyl)-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethanol |
| SMILES (Canonical) | CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC4C2(COC(O4)(C)C)C)C |
| SMILES (Isomeric) | CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC4C2(COC(O4)(C)C)C)C |
| InChI | InChI=1S/C23H40O5/c1-16-6-7-17-20(4)15-26-19(2,3)27-18(20)8-9-21(17,5)23(16)11-10-22(14-25,28-23)12-13-24/h16-18,24-25H,6-15H2,1-5H3 |
| InChI Key | VKCTYACKTCTDRG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H40O5 |
| Molecular Weight | 396.60 g/mol |
| Exact Mass | 396.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 2-[2'-(Hydroxymethyl)-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/8231c7a0-8756-11ee-9518-8348cc4f44f6.jpg "2D Structure of 2-[2'-(Hydroxymethyl)-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethanol")
| 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 | 95.84% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.69% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.02% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.83% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.38% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.38% | 94.45% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 91.32% | 98.46% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.81% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.30% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.72% | 97.79% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.70% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.31% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.84% | 95.71% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.51% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.26% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.95% | 91.07% |
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.
| Lagochilus pubescens |
| PubChem | 3630505 |
| LOTUS | LTS0134817 |
| wikiData | Q105287671 |