[3,4,5-Trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | 0dba42c0-657d-4822-9fe3-4af606936458 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O)C5=CC=C(C=C5)O |
SMILES (Isomeric) | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O)C5=CC=C(C=C5)O |
InChI | InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2 |
InChI Key | PLORCKNHUZJPKH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H28O12 |
Molecular Weight | 580.50 g/mol |
Exact Mass | 580.15807632 g/mol |
Topological Polar Surface Area (TPSA) | 192.00 Ų |
XlogP | 2.30 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.55% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.27% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.86% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.90% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.43% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.84% | 94.45% |
CHEMBL3194 | P02766 | Transthyretin | 91.56% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.93% | 90.00% |
CHEMBL2581 | P07339 | Cathepsin D | 88.60% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.24% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.57% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.47% | 96.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.33% | 95.89% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.14% | 94.80% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.22% | 94.73% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.94% | 92.50% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.87% | 95.64% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.84% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.25% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.48% | 86.92% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.39% | 99.23% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.31% | 95.78% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 81.63% | 95.93% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.07% | 89.67% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.95% | 91.71% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.63% | 85.00% |
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.
Mabea fistulifera |
Phlomis aurea |
Phyllanthus emblica |
Ricinus communis |
PubChem | 334350 |
LOTUS | LTS0050553 |
wikiData | Q105211098 |