2-[[5,7-dihydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 737b89c3-e73d-4b2b-8076-2891032d4e75 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Iridoid O-glycosides |
| IUPAC Name | 2-[[5,7-dihydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C2C=COC(C2C1(CO)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | C1C(C2C=COC(C2C1(CO)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C15H24O10/c16-4-8-10(19)11(20)12(21)14(24-8)25-13-9-6(1-2-23-13)7(18)3-15(9,22)5-17/h1-2,6-14,16-22H,3-5H2 |
| InChI Key | PGXDXRHNNOBDOF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O10 |
| Molecular Weight | 364.34 g/mol |
| Exact Mass | 364.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 2-[[5,7-dihydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/42986b00-86f6-11ee-b111-8dd650ecf40e.jpg "2D Structure of 2-[[5,7-dihydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]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 | 97.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.66% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.51% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.16% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.45% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.08% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.79% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.46% | 92.94% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.82% | 95.83% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.87% | 92.32% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.63% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.11% | 90.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.98% | 96.21% |
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.
| Crescentia cujete |
| Dolichandra cynanchoides |
| Sideritis cystosiphon |
| Sideritis ferrensis |
| Sideritis soluta |
| PubChem | 73804138 |
| LOTUS | LTS0119467 |
| wikiData | Q105033517 |