2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol
| Internal ID | fec484ae-9da8-4436-8cc0-7b7be166ae30 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(=C)C2COC3C(C(C(C(O3)CO)O)O)O)C)CO |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC(=C)C2COC3C(C(C(C(O3)CO)O)O)O)C)CO |
| InChI | InChI=1S/C21H36O7/c1-12-5-6-15-20(2,11-23)7-4-8-21(15,3)13(12)10-27-19-18(26)17(25)16(24)14(9-22)28-19/h13-19,22-26H,1,4-11H2,2-3H3 |
| InChI Key | ZJORHKDLSPRMKY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O7 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/34b602a0-8763-11ee-9e61-399aba293803.jpg "2D Structure of 2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]oxane-3,4,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.69% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.03% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 91.82% | 99.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.81% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.42% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.04% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.85% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.29% | 98.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.78% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.07% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.07% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.86% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.69% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.30% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.02% | 95.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.98% | 92.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.81% | 93.04% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.56% | 91.49% |
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.
| Dryopteris fragrans |
| PubChem | 162979975 |
| LOTUS | LTS0135482 |
| wikiData | Q105378025 |