4-Hydroxy-5-methoxy-4-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one
Internal ID | 1e418b05-7185-4c74-949d-d67f016ce327 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | 4-hydroxy-5-methoxy-4-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one |
SMILES (Canonical) | COC1CC(=O)C=CC1(CCOC2C(C(C(C(O2)CO)O)O)O)O |
SMILES (Isomeric) | COC1CC(=O)C=CC1(CCOC2C(C(C(C(O2)CO)O)O)O)O |
InChI | InChI=1S/C15H24O9/c1-22-10-6-8(17)2-3-15(10,21)4-5-23-14-13(20)12(19)11(18)9(7-16)24-14/h2-3,9-14,16,18-21H,4-7H2,1H3 |
InChI Key | ZCRNWBJHIJCNDA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H24O9 |
Molecular Weight | 348.34 g/mol |
Exact Mass | 348.14203234 g/mol |
Topological Polar Surface Area (TPSA) | 146.00 Ų |
XlogP | -2.80 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.01% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.32% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 86.62% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.82% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.64% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.31% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.29% | 89.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.89% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.31% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.77% | 96.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.18% | 95.83% |
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.
Millingtonia hortensis |
PubChem | 162905288 |
LOTUS | LTS0245852 |
wikiData | Q105371391 |