(2R,3R,4S,5S,6R)-2-[(2R)-2-(1,3-benzodioxol-5-yl)-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | 183bd5f4-1f5a-4a7a-abf7-6483f39b8cdb |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R)-2-(1,3-benzodioxol-5-yl)-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)C(CO)COC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)[C@H](CO)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
InChI | InChI=1S/C16H22O9/c17-4-9(8-1-2-10-11(3-8)24-7-23-10)6-22-16-15(21)14(20)13(19)12(5-18)25-16/h1-3,9,12-21H,4-7H2/t9-,12-,13-,14+,15-,16-/m1/s1 |
InChI Key | YQZGDKAOATWZIG-YYMOATHLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H22O9 |
Molecular Weight | 358.34 g/mol |
Exact Mass | 358.12638228 g/mol |
Topological Polar Surface Area (TPSA) | 138.00 Ų |
XlogP | -1.20 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.57% | 91.11% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.16% | 94.80% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.03% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.05% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.19% | 98.95% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.64% | 96.77% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.65% | 92.62% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.28% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.42% | 96.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.08% | 95.93% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.06% | 89.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.78% | 89.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.59% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.91% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.27% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.66% | 99.17% |
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.
Juniperus communis |
Juniperus phoenicea |
PubChem | 38347240 |
LOTUS | LTS0098670 |
wikiData | Q105352669 |