[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | 4c03d9ca-552a-452a-9b96-5dc862f44fc0 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O)O |
InChI | InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1 |
InChI Key | FSHKRIFUEGZCIN-DPFCLURTSA-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 | 2.40 |
There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/198d4260-873c-11ee-a81a-fd8c4175b2b6.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 | 99.52% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.26% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.25% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.96% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
CHEMBL3194 | P02766 | Transthyretin | 95.28% | 90.71% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.65% | 95.64% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.99% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.38% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 91.95% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.81% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.51% | 88.48% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.91% | 99.15% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.43% | 94.73% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.42% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.05% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.95% | 95.78% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.48% | 90.71% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.33% | 95.50% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.27% | 86.92% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.67% | 94.33% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.84% | 89.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.66% | 90.00% |
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.
Marrubium velutinum |
Rosa canina |
PubChem | 10484053 |
LOTUS | LTS0228918 |
wikiData | Q105000633 |