2-[[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]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | bca99597-d808-4a74-910d-1e938c696112 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2-[[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]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCO)CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)CO)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCO)CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)CO)O)O)O)O)C |
| InChI | InChI=1S/C26H44O8/c1-15(10-12-27)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-33-24-23(32)22(31)21(30)18(13-28)34-24/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3 |
| InChI Key | CWDBCXIAEGDANA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H44O8 |
| Molecular Weight | 484.60 g/mol |
| Exact Mass | 484.30361836 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.70 |
| 90851-25-5 |
| [(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 beta-D-glucopyranoside |
![2D Structure of 2-[[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]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/7b6cdda0-861b-11ee-9e6d-e5c37e1838cb.jpg "2D Structure of 2-[[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]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.28% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.18% | 83.82% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.66% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.55% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.55% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.00% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.51% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.41% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.28% | 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 chingii |
| Rubus niveus |
| PubChem | 75630181 |
| LOTUS | LTS0077879 |
| wikiData | Q104971170 |