2-(Hydroxymethyl)-6-[(5-hydroxy-3,7,9-trioxatetracyclo[6.3.1.02,4.05,11]dodecan-10-yl)oxy]oxane-3,4,5-triol
| Internal ID | dcc2ddaa-1c44-43ba-9f0a-a69cd937fe2f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-(hydroxymethyl)-6-[(5-hydroxy-3,7,9-trioxatetracyclo[6.3.1.02,4.05,11]dodecan-10-yl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1C2C3C(OC1OCC3(C4C2O4)O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | C1C2C3C(OC1OCC3(C4C2O4)O)OC5C(C(C(C(O5)CO)O)O)O |
| InChI | InChI=1S/C15H22O10/c16-2-5-8(17)9(18)10(19)14(22-5)25-13-7-4-1-6(23-13)21-3-15(7,20)12-11(4)24-12/h4-14,16-20H,1-3H2 |
| InChI Key | PZCGOEDCXJGTFD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O10 |
| Molecular Weight | 362.33 g/mol |
| Exact Mass | 362.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | -2.90 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[(5-hydroxy-3,7,9-trioxatetracyclo[6.3.1.02,4.05,11]dodecan-10-yl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/5b5ff7e0-863c-11ee-b1a0-5196c9f8a978.jpg "2D Structure of 2-(Hydroxymethyl)-6-[(5-hydroxy-3,7,9-trioxatetracyclo[6.3.1.02,4.05,11]dodecan-10-yl)oxy]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 | 96.77% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.88% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.25% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.24% | 96.61% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.84% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.49% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.99% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.42% | 83.82% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.43% | 98.75% |
| CHEMBL3589 | P55263 | Adenosine kinase | 82.33% | 98.05% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.23% | 97.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.00% | 85.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.96% | 95.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.78% | 92.32% |
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 |
| PubChem | 73818280 |
| LOTUS | LTS0213332 |
| wikiData | Q105216919 |