[6-[5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | 747a76bc-9a1c-49e4-bec2-857f24ad0b2b |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O |
InChI | InChI=1S/C31H28O14/c1-41-20-10-14(2-8-17(20)33)3-9-24(35)42-13-23-27(37)29(39)30(40)31(45-23)44-22-12-21-25(28(38)26(22)36)18(34)11-19(43-21)15-4-6-16(32)7-5-15/h2-12,23,27,29-33,36-40H,13H2,1H3 |
InChI Key | KBNNNOOHEWBCRP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H28O14 |
Molecular Weight | 624.50 g/mol |
Exact Mass | 624.14790556 g/mol |
Topological Polar Surface Area (TPSA) | 222.00 Ų |
XlogP | 2.20 |
There are no found synonyms. |
![2D Structure of [6-[5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 2D Structure of [6-[5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/d8299610-85a1-11ee-9327-f146081725d0.jpg)
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 | 99.68% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.29% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.19% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.64% | 85.14% |
CHEMBL3194 | P02766 | Transthyretin | 96.71% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.94% | 99.17% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.12% | 95.64% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.01% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.47% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.56% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.13% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.64% | 95.56% |
CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 88.23% | 97.03% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.04% | 95.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.71% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.66% | 90.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.51% | 86.92% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.14% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.42% | 95.78% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.68% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.32% | 99.15% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.19% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.84% | 96.21% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.91% | 91.71% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.57% | 97.28% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.19% | 92.50% |
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.
Origanum majorana |
PubChem | 163031924 |
LOTUS | LTS0123097 |
wikiData | Q105138384 |