methyl (1S,4aS,7S,7aS)-7-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Internal ID | 0bbd7949-8546-4df5-b52d-df5e0df9b84d |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | methyl (1S,4aS,7S,7aS)-7-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
SMILES (Canonical) | COC(=O)C1=COC(C2C1CCC2O)OC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC[C@@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChI | InChI=1S/C16H24O10/c1-23-14(22)7-5-24-15(10-6(7)2-3-8(10)18)26-16-13(21)12(20)11(19)9(4-17)25-16/h5-6,8-13,15-21H,2-4H2,1H3/t6-,8+,9-,10+,11-,12+,13-,15+,16+/m1/s1 |
InChI Key | RNFCHDXPRQYOAB-OSNMJEOSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H24O10 |
Molecular Weight | 376.36 g/mol |
Exact Mass | 376.13694696 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | -1.80 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.18% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.55% | 83.82% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.44% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.82% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.21% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.14% | 94.73% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.93% | 92.50% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.40% | 95.83% |
CHEMBL2581 | P07339 | Cathepsin D | 83.45% | 98.95% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.98% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.27% | 90.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.23% | 94.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.46% | 96.00% |
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.
Monochasma savateri |
PubChem | 101834770 |
LOTUS | LTS0269249 |
wikiData | Q105241303 |