(1R,4aR,5S,6R,7R,7aS)-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1,5,6,7-tetrol
| Internal ID | d928ed24-9b19-47dc-b13a-89ea62ec589b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | (1R,4aR,5S,6R,7R,7aS)-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1,5,6,7-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H16O6/c10-3-9(14)5-4(6(11)7(9)12)1-2-15-8(5)13/h4-8,10-14H,1-3H2/t4-,5-,6+,7-,8-,9+/m1/s1 |
| InChI Key | GVPJIARKBVSQGO-MWRHRVLASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C9H16O6 |
| Molecular Weight | 220.22 g/mol |
| Exact Mass | 220.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of (1R,4aR,5S,6R,7R,7aS)-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1,5,6,7-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/1r4ar5s6r7r7as-7-hydroxymethyl-344a567a-hexahydro-1h-cyclopentacpyran-1567-tetrol.jpg "2D Structure of (1R,4aR,5S,6R,7R,7aS)-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1,5,6,7-tetrol")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.77% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.52% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.36% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.78% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.66% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.93% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.89% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.03% | 89.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.68% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.46% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.00% | 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.
| Crescentia alata |
| PubChem | 16104906 |
| LOTUS | LTS0105417 |
| wikiData | Q105021518 |