(2R)-4-hydroxy-7,8-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Internal ID | 26d6a6dc-48df-46cc-a891-f431e2220f68 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | (2R)-4-hydroxy-7,8-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one |
SMILES (Canonical) | COC1=C(C2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O)OC |
SMILES (Isomeric) | COC1=C(C2=C(C=C1)N(C(=O)[C@H](O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC |
InChI | InChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3/t8-,9-,10+,11-,15+,16-/m1/s1 |
InChI Key | CFUFRWCJGZYVHK-OIFGPBIKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H21NO11 |
Molecular Weight | 403.34 g/mol |
Exact Mass | 403.11146049 g/mol |
Topological Polar Surface Area (TPSA) | 168.00 Ų |
XlogP | -1.60 |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.34% | 83.82% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.35% | 86.92% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.74% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.35% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 90.19% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.55% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.25% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.02% | 99.17% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.22% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.03% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.28% | 94.45% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.87% | 97.14% |
PubChem | 162918553 |
LOTUS | LTS0072602 |
wikiData | Q104956977 |