Maysin 3'-methyl ether
Internal ID | b1624161-2eda-40d2-bdfb-d61debacd22c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]chromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)C)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)C)O)O)O)O |
InChI | InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3 |
InChI Key | OKTXLUXOQRQVRH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H30O14 |
Molecular Weight | 590.50 g/mol |
Exact Mass | 590.16355563 g/mol |
Topological Polar Surface Area (TPSA) | 222.00 Ų |
XlogP | 0.00 |
3'-Methoxymaysin |
3'-Methoxymaysin(incorr.) |
CHEBI:191471 |
DTXSID601316618 |
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]chromen-4-one |
74158-05-7 |
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 | 99.37% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.61% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.16% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.17% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.83% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.66% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.32% | 86.33% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.13% | 97.36% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.79% | 99.15% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.17% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
CHEMBL3194 | P02766 | Transthyretin | 83.41% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.37% | 99.23% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.84% | 97.14% |
PubChem | 74977693 |
LOTUS | LTS0076001 |
wikiData | Q105193757 |