2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Internal ID | b98a2e73-9c9e-4bcd-a726-cd315bb68c61 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3 |
InChI Key | IVTMALDHFAHOGL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H30O16 |
Molecular Weight | 610.50 g/mol |
Exact Mass | 610.15338487 g/mol |
Topological Polar Surface Area (TPSA) | 266.00 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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.83% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.74% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.55% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.42% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.66% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.25% | 94.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 94.73% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.60% | 99.15% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.61% | 95.64% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.62% | 97.36% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.78% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.65% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.37% | 95.78% |
CHEMBL3194 | P02766 | Transthyretin | 84.58% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.29% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.34% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.80% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.55% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.41% | 99.23% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.46% | 80.78% |
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.
Abies nephrolepis |
Lycopus europaeus |
PubChem | 74978200 |
LOTUS | LTS0218634 |
wikiData | Q105121288 |