[(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside
| Internal ID | da71a55a-f6f6-4d96-84d2-97834da41f6f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[2-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCO)CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)COC4C(C(C(O4)CO)O)O)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCO)CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)COC4C(C(C(O4)CO)O)O)O)O)O)O)C |
| InChI | InChI=1S/C31H52O12/c1-16(10-12-32)5-7-18-17(2)6-8-21-30(18,3)11-9-22(34)31(21,4)15-41-29-27(39)25(37)24(36)20(43-29)14-40-28-26(38)23(35)19(13-33)42-28/h10,18-29,32-39H,2,5-9,11-15H2,1,3-4H3 |
| InChI Key | SAIOSKKYQVZFSU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O12 |
| Molecular Weight | 616.70 g/mol |
| Exact Mass | 616.34587709 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | 0.20 |
| [(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside |
| 138614-60-5 |
![2D Structure of [(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside](https://plantaedb.com/storage/docs/compounds/2023/11/aa672e70-85e7-11ee-9d22-430738517734.jpg "2D Structure of [(1S,2R,4aS,5R,8aS)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside")
| 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 | 97.45% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.84% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.13% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.28% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.15% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.82% | 99.43% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.85% | 96.43% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.80% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.61% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.77% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.29% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.42% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.39% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.13% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.12% | 100.00% |
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.
| Rubus niveus |
| PubChem | 76401234 |
| LOTUS | LTS0215153 |
| wikiData | Q105248888 |