5-Hydroxy-7-methoxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 92b9b320-b345-4eb8-ac78-ebbe2b33fb4e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 5-hydroxy-7-methoxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O |
SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O |
InChI | InChI=1S/C29H34O17/c1-40-11-6-12(32)18-15(7-11)42-26(27(21(18)35)46-29-25(39)23(37)20(34)17(9-31)45-29)10-3-4-13(14(5-10)41-2)43-28-24(38)22(36)19(33)16(8-30)44-28/h3-7,16-17,19-20,22-25,28-34,36-39H,8-9H2,1-2H3 |
InChI Key | HHVFGSHKCLQRAL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H34O17 |
Molecular Weight | 654.60 g/mol |
Exact Mass | 654.17959961 g/mol |
Topological Polar Surface Area (TPSA) | 264.00 Ų |
XlogP | -0.80 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.84% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.10% | 94.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.34% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.38% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.68% | 99.17% |
CHEMBL220 | P22303 | Acetylcholinesterase | 92.10% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.87% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.83% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.79% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.79% | 94.73% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.50% | 95.78% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.37% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.97% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.50% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.75% | 94.45% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.23% | 95.50% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.83% | 95.53% |
CHEMBL3194 | P02766 | Transthyretin | 80.18% | 90.71% |
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.
Anthyllis onobrychioides |
Viscum album |
PubChem | 14376377 |
LOTUS | LTS0082244 |
wikiData | Q105028607 |