7,8-Dihydroxy-6-(hydroxymethyl)spiro[3,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]dioxine-2,5'-oxolane]-2'-one
Internal ID | 335c219d-8c5e-4f5a-91b8-d0a81dd244b1 |
Taxonomy | Organoheterocyclic compounds > Pyranodioxins |
IUPAC Name | 7,8-dihydroxy-6-(hydroxymethyl)spiro[3,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]dioxine-2,5'-oxolane]-2'-one |
SMILES (Canonical) | C1CC2(COC3C(O2)C(C(C(O3)CO)O)O)OC1=O |
SMILES (Isomeric) | C1CC2(COC3C(O2)C(C(C(O3)CO)O)O)OC1=O |
InChI | InChI=1S/C11H16O8/c12-3-5-7(14)8(15)9-10(17-5)16-4-11(19-9)2-1-6(13)18-11/h5,7-10,12,14-15H,1-4H2 |
InChI Key | FZNKKTYVPJMKJP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C11H16O8 |
Molecular Weight | 276.24 g/mol |
Exact Mass | 276.08451746 g/mol |
Topological Polar Surface Area (TPSA) | 115.00 Ų |
XlogP | -1.80 |
There are no found synonyms. |
![2D Structure of 7,8-Dihydroxy-6-(hydroxymethyl)spiro[3,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]dioxine-2,5'-oxolane]-2'-one 2D Structure of 7,8-Dihydroxy-6-(hydroxymethyl)spiro[3,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]dioxine-2,5'-oxolane]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/d9ea9310-857b-11ee-9dfe-4f83026553c3.jpg)
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 | 97.77% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.13% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.33% | 96.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.29% | 96.61% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.21% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.85% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.72% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.75% | 100.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.32% | 98.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.59% | 89.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.63% | 93.04% |
CHEMBL220 | P22303 | Acetylcholinesterase | 80.50% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.20% | 99.23% |
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.
Helleborus niger |
PubChem | 102059857 |
LOTUS | LTS0196903 |
wikiData | Q105005059 |