19-[(beta-D-glucopyrasyl)oxy]-
| Internal ID | 874c1f96-e143-49ad-ba89-42a938705a82 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
| SMILES (Canonical) | CC12CCCC(C1CCC(=C)C2CCC3=CCOC3=O)(C)C(=O)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC(=C)C2CCC3=CCOC3=O)(C)C(=O)OC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C26H38O9/c1-14-5-8-18-25(2,16(14)7-6-15-9-12-33-22(15)31)10-4-11-26(18,3)24(32)35-23-21(30)20(29)19(28)17(13-27)34-23/h9,16-21,23,27-30H,1,4-8,10-13H2,2-3H3 |
| InChI Key | WWMGXPVENJOYMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O9 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 2.30 |
| 19-oxo-ent-labda-8(17),13-dien-16,15-olide |
| 919120-78-8 |
![2D Structure of 19-[(beta-D-glucopyrasyl)oxy]-](https://plantaedb.com/storage/docs/compounds/2023/11/19-beta-d-glucopyrasyloxy-.jpg "2D Structure of 19-[(beta-D-glucopyrasyl)oxy]-")
| 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 | 99.25% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.13% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.74% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.66% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.94% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.27% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.25% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.59% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.68% | 83.57% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.26% | 96.61% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.90% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.27% | 92.62% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.14% | 98.10% |
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.
| Andrographis paniculata |
| Potamogeton illinoensis |
| PubChem | 72748779 |
| LOTUS | LTS0101606 |
| wikiData | Q105314139 |