(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Internal ID | 960079a5-92ee-4eba-a436-258acbb0d54e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides |
IUPAC Name | (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
SMILES (Canonical) | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
InChI | InChI=1S/C21H18O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 |
InChI Key | NKRGFKAFZUDVES-ZFORQUDYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H18O11 |
Molecular Weight | 446.40 g/mol |
Exact Mass | 446.08491139 g/mol |
Topological Polar Surface Area (TPSA) | 183.00 Ų |
XlogP | 0.20 |
There are no found synonyms. |
![2D Structure of (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 2D Structure of (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/116ba910-86d6-11ee-8518-87ab0c84e6a5.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.11% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 96.95% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.65% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.66% | 99.15% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.60% | 83.57% |
CHEMBL2581 | P07339 | Cathepsin D | 93.27% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.92% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.42% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.65% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.67% | 95.78% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.14% | 90.71% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.95% | 91.71% |
CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.93% | 89.23% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.41% | 99.23% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.93% | 94.73% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 83.51% | 96.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.77% | 95.64% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.49% | 95.50% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.49% | 96.12% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.34% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.73% | 90.00% |
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.
Medicago sativa |
PubChem | 15478939 |
LOTUS | LTS0079122 |
wikiData | Q105180894 |