[(2S,3R,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Internal ID | d8418184-2a49-4248-b053-853416176bba |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [(2S,3R,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)O)O)OC(=O)C |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)O)O)OC(=O)C |
InChI | InChI=1S/C24H24O11/c1-10-22(33-11(2)25)20(29)21(30)24(32-10)34-14-8-15(26)17-16(9-14)35-23(19(28)18(17)27)12-4-6-13(31-3)7-5-12/h4-10,20-22,24,26,28-30H,1-3H3/t10-,20-,21+,22-,24-/m0/s1 |
InChI Key | YSJHWLBXTXCGBS-BZTNSSMJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H24O11 |
Molecular Weight | 488.40 g/mol |
Exact Mass | 488.13186158 g/mol |
Topological Polar Surface Area (TPSA) | 161.00 Ų |
XlogP | 2.10 |
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 | 99.63% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.36% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.26% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.12% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.93% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 95.75% | 95.64% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.50% | 86.33% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.31% | 81.11% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.21% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.28% | 95.56% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.21% | 97.36% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.24% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.95% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.94% | 99.23% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.55% | 87.67% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.10% | 90.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.24% | 94.42% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.71% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.13% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.92% | 91.19% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.60% | 86.92% |
CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 82.15% | 90.48% |
CHEMBL3194 | P02766 | Transthyretin | 81.99% | 90.71% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.75% | 94.45% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.58% | 92.94% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.31% | 95.78% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.31% | 95.50% |
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.
Actinidia kolomikta |
PubChem | 46845192 |
LOTUS | LTS0210574 |
wikiData | Q105359748 |