(2R,3R,4S,5S,6R)-2-[[(1S,3S,4R,9R,10S,13R,15R)-15-hydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 460f2e8d-491c-405e-8c5c-305af4e2dbc0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(1S,3S,4R,9R,10S,13R,15R)-15-hydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(CCCC2(C1C(CC34C2CCC(C3)C(=C)C4O)OC5C(C(C(C(O5)CO)O)O)O)CO)C |
| SMILES (Isomeric) | CC1(CCC[C@@]2([C@@H]1[C@H](C[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)C |
| InChI | InChI=1S/C26H42O8/c1-13-14-5-6-17-25(12-28)8-4-7-24(2,3)21(25)15(10-26(17,9-14)22(13)32)33-23-20(31)19(30)18(29)16(11-27)34-23/h14-23,27-32H,1,4-12H2,2-3H3/t14-,15+,16-,17+,18-,19+,20-,21-,22-,23-,25-,26+/m1/s1 |
| InChI Key | AFRAFEHORWKQEE-RJWBCJEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O8 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.28796829 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[[(1S,3S,4R,9R,10S,13R,15R)-15-hydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/aba80c70-872f-11ee-a644-07ea6b8212fc.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[[(1S,3S,4R,9R,10S,13R,15R)-15-hydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-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 | 97.55% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.59% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.28% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.80% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.64% | 83.57% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.20% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.62% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.63% | 96.38% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.20% | 99.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.65% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.35% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.17% | 95.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.62% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.22% | 94.45% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.12% | 97.50% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.12% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.87% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.80% | 96.61% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.22% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.16% | 92.62% |
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.
| Solenostoma infusca |
| PubChem | 14526989 |
| LOTUS | LTS0077892 |
| wikiData | Q104911430 |