HDMBOA-Glc
Internal ID | bd2c74ae-c63e-4e67-8bfe-c4666cbc43a4 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | 4,7-dimethoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one |
SMILES (Canonical) | COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)OC |
SMILES (Isomeric) | COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)OC |
InChI | InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3 |
InChI Key | UOASSFRPBORTCT-UHFFFAOYSA-N |
Popularity | 10 references in papers |
Molecular Formula | C16H21NO10 |
Molecular Weight | 387.34 g/mol |
Exact Mass | 387.11654587 g/mol |
Topological Polar Surface Area (TPSA) | 147.00 Ų |
XlogP | -1.10 |
4,7-dimethoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one |
113565-33-6 |
4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one |
HDMBOA + O-Hex |
CHEBI:189763 |
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 |
---|---|---|---|---|
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 97.44% | 86.92% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.38% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.72% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.70% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.03% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.23% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.70% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.30% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.16% | 95.89% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.56% | 85.14% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.46% | 96.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.60% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.21% | 95.89% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.41% | 97.36% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.28% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.95% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.91% | 97.09% |
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.
Triticum aestivum |
Zea mays |
PubChem | 25201130 |
LOTUS | LTS0123169 |
wikiData | Q105276246 |