2-[[4-hydroxy-1-(hydroxymethyl)-1,7-dimethyl-2,3,3a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | f6a6b6ea-964b-40bc-90d5-5ea2634aba28 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[[4-hydroxy-1-(hydroxymethyl)-1,7-dimethyl-2,3,3a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC(C2C1C3C(C3(C)CO)CC2)(COC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | CC1CCC(C2C1C3C(C3(C)CO)CC2)(COC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C21H36O8/c1-10-5-6-21(27,11-3-4-12-15(14(10)11)20(12,2)8-23)9-28-19-18(26)17(25)16(24)13(7-22)29-19/h10-19,22-27H,3-9H2,1-2H3 |
| InChI Key | VOPHEWADGISOHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O8 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 2-[[4-hydroxy-1-(hydroxymethyl)-1,7-dimethyl-2,3,3a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/ee128650-8292-11ee-8d4f-0515d5bcefbd.jpg "2D Structure of 2-[[4-hydroxy-1-(hydroxymethyl)-1,7-dimethyl-2,3,3a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]methoxy]-6-(hydroxymethyl)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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.94% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.24% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.00% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.84% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.60% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.34% | 83.82% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.75% | 89.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.92% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.64% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.51% | 96.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.47% | 97.79% |
| CHEMBL204 | P00734 | Thrombin | 85.63% | 96.01% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.72% | 98.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.48% | 94.75% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.41% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.27% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.96% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.04% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.73% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.66% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.35% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.62% | 93.04% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.52% | 92.78% |
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.
| Dendrobium moniliforme |
| Dendrobium nobile |
| PubChem | 73082188 |
| LOTUS | LTS0201840 |
| wikiData | Q105290326 |