3-[4-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
Internal ID | 90b9485d-10d8-4b34-9442-0d1296252da8 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | 3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C4=COC5=CC(=CC(=C5C4=O)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C4=COC5=CC(=CC(=C5C4=O)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C27H30O14/c1-10-19(31)22(34)24(36)26(38-10)41-25-23(35)21(33)17(8-28)40-27(25)39-13-4-2-11(3-5-13)14-9-37-16-7-12(29)6-15(30)18(16)20(14)32/h2-7,9-10,17,19,21-31,33-36H,8H2,1H3 |
InChI Key | SNJVNAXLTOIYQN-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H30O14 |
Molecular Weight | 578.50 g/mol |
Exact Mass | 578.16355563 g/mol |
Topological Polar Surface Area (TPSA) | 225.00 Ų |
XlogP | -0.20 |
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 | 99.38% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.26% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.02% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.55% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.39% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.32% | 99.17% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.99% | 91.49% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.53% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.25% | 86.92% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.16% | 97.36% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.36% | 95.93% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.64% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.52% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.16% | 96.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.24% | 96.21% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.60% | 94.73% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.83% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.82% | 97.09% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.92% | 94.75% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.68% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.83% | 95.89% |
CHEMBL3194 | P02766 | Transthyretin | 80.96% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.56% | 96.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.44% | 95.83% |
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.
Styphnolobium japonicum |
PubChem | 92023895 |
LOTUS | LTS0147701 |
wikiData | Q105256499 |