[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[3-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl but-2-enoate
Internal ID | 7c471605-7399-40d5-982a-18226bb8e05b |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[3-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl but-2-enoate |
SMILES (Canonical) | CC=CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)O)O)O)O |
SMILES (Isomeric) | CC=CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)O)O)O)O |
InChI | InChI=1S/C26H26O11/c1-3-4-21(28)35-12-20-23(30)24(31)25(32)26(37-20)36-14-6-7-15-19(10-14)34-11-16(22(15)29)13-5-8-18(33-2)17(27)9-13/h3-11,20,23-27,30-32H,12H2,1-2H3/t20-,23+,24-,25-,26-/m1/s1 |
InChI Key | SRYJIKRETOWENJ-OCKUVUBHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H26O11 |
Molecular Weight | 514.50 g/mol |
Exact Mass | 514.14751164 g/mol |
Topological Polar Surface Area (TPSA) | 161.00 Ų |
XlogP | 1.50 |
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 | 98.99% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.32% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.86% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.93% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.82% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.75% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.21% | 96.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 91.77% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.31% | 95.56% |
CHEMBL1907 | P15144 | Aminopeptidase N | 89.39% | 93.31% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.16% | 88.48% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.76% | 80.78% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.30% | 95.78% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.13% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.00% | 95.89% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.97% | 99.15% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.46% | 92.62% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.72% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.72% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.31% | 97.09% |
CHEMBL3194 | P02766 | Transthyretin | 80.97% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.95% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.74% | 90.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.54% | 97.28% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.46% | 95.50% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.35% | 99.23% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.16% | 95.53% |
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.
Astragalus mongholicus |
PubChem | 162922956 |
LOTUS | LTS0164858 |
wikiData | Q105259517 |