2-Methyl-6-[[3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Internal ID | 0411b3ad-0e4b-4ea8-9477-51959fc08eb3 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | 2-methyl-6-[[3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)CC=C)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)CC=C)O)O)O)O)O)O)O |
InChI | InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3,5-7,9,13-28H,1,4,8H2,2H3 |
InChI Key | NJQNQSXHTVMRPO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H30O11 |
Molecular Weight | 458.50 g/mol |
Exact Mass | 458.17881177 g/mol |
Topological Polar Surface Area (TPSA) | 179.00 Ų |
XlogP | -1.20 |
There are no found synonyms. |
![2D Structure of 2-Methyl-6-[[3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol 2D Structure of 2-Methyl-6-[[3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-6-345-trihydroxy-6-2-hydroxy-4-prop-2-enylphenoxyoxan-2-ylmethoxyoxane-345-triol.jpg)
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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.84% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.73% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.26% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.38% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 92.81% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.20% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.97% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.13% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.23% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.64% | 89.00% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.98% | 83.57% |
CHEMBL3194 | P02766 | Transthyretin | 84.44% | 90.71% |
CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 84.44% | 97.88% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.76% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.35% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.04% | 96.95% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.41% | 86.92% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.08% | 97.36% |
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.
Alpinia officinarum |
PubChem | 73157742 |
LOTUS | LTS0159720 |
wikiData | Q105180265 |