[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate
Internal ID | d00e27fc-98cf-4541-a21b-2516a4cc7649 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C4C(C(C(C(O4)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C4C(C(C(C(O4)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
InChI | InChI=1S/C27H28O17/c28-7-13-15(31)17(33)21(37)27(42-13)44-23-16(32)14-11(30)5-10(6-12(14)41-22(23)8-1-3-9(29)4-2-8)40-26(39)24-19(35)18(34)20(36)25(38)43-24/h1-6,13,15,17-21,24-25,27-31,33-38H,7H2 |
InChI Key | NZFULSHHWRARCI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H28O17 |
Molecular Weight | 624.50 g/mol |
Exact Mass | 624.13264942 g/mol |
Topological Polar Surface Area (TPSA) | 283.00 Ų |
XlogP | -1.30 |
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 | 99.17% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.48% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.65% | 86.92% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.44% | 94.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.24% | 95.64% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.58% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.00% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.93% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.89% | 99.15% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.84% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.79% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.90% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 83.69% | 90.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.81% | 95.89% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.00% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.36% | 85.14% |
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.
Carthamus tinctorius |
PubChem | 163022264 |
LOTUS | LTS0102200 |
wikiData | Q105187886 |