7-[3,4-Dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3-[4-[3,4-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxyphenyl]-5-hydroxychromen-4-one
Internal ID | 3fece39f-2ebc-4781-ab0f-180adb439a87 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
IUPAC Name | 7-[3,4-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3-[4-[3,4-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxyphenyl]-5-hydroxychromen-4-one |
SMILES (Canonical) | C1C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC5C(C(CO5)(COC6C(C(C(C(O6)CO)O)O)O)O)O)O)(COC7C(C(C(C(O7)CO)O)O)O)O |
SMILES (Isomeric) | C1C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC5C(C(CO5)(COC6C(C(C(C(O6)CO)O)O)O)O)O)O)(COC7C(C(C(C(O7)CO)O)O)O)O |
InChI | InChI=1S/C37H46O23/c38-7-20-24(42)26(44)28(46)32(59-20)53-10-36(50)12-55-34(30(36)48)57-15-3-1-14(2-4-15)17-9-52-19-6-16(5-18(40)22(19)23(17)41)58-35-31(49)37(51,13-56-35)11-54-33-29(47)27(45)25(43)21(8-39)60-33/h1-6,9,20-21,24-35,38-40,42-51H,7-8,10-13H2 |
InChI Key | LOSLKNDENQPHQW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H46O23 |
Molecular Weight | 858.70 g/mol |
Exact Mass | 858.24298771 g/mol |
Topological Polar Surface Area (TPSA) | 363.00 Ų |
XlogP | -4.50 |
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 | 99.72% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.63% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.83% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.19% | 94.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.93% | 99.15% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.32% | 86.33% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 90.99% | 95.93% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 90.35% | 97.28% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.10% | 86.92% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.68% | 95.78% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.92% | 96.21% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.07% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.55% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.04% | 94.75% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.64% | 96.09% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.11% | 95.53% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.69% | 90.71% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.40% | 80.33% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.34% | 95.83% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.23% | 97.53% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.26% | 99.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.21% | 99.23% |
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.
Cytisus scoparius subsp. scoparius |
PubChem | 162900670 |
LOTUS | LTS0197754 |
wikiData | Q105154891 |