[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Internal ID | 1c98586d-c3dd-482f-b4cf-cc9c3297b417 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
IUPAC Name | [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
SMILES (Isomeric) | C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
InChI | InChI=1S/C37H30O15/c38-17-4-1-14(2-5-17)36-34(48)31(29-22(42)10-18(39)11-27(29)51-36)30-23(43)13-26-19(32(30)46)12-28(35(50-26)15-3-6-20(40)21(41)7-15)52-37(49)16-8-24(44)33(47)25(45)9-16/h1-11,13,28,31,34-36,38-48H,12H2 |
InChI Key | SVTHEFRUZCGPJE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H30O15 |
Molecular Weight | 714.60 g/mol |
Exact Mass | 714.15847025 g/mol |
Topological Polar Surface Area (TPSA) | 267.00 Ų |
XlogP | 3.90 |
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 | 99.70% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.62% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 95.79% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.71% | 96.09% |
CHEMBL2535 | P11166 | Glucose transporter | 91.92% | 98.75% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.76% | 83.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.37% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.39% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.44% | 86.33% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 88.44% | 96.37% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.40% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.93% | 99.23% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.71% | 95.78% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 86.08% | 97.53% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.41% | 95.89% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.88% | 83.82% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.81% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 84.24% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.20% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.58% | 95.56% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.22% | 95.17% |
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.
Rumex acetosa |
PubChem | 162940055 |
LOTUS | LTS0211339 |
wikiData | Q105262434 |