[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Internal ID | e4a39d7f-5873-4b06-a147-e6730f8f5eec |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Hydroxycinnamic acid glycosides |
IUPAC Name | [6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C22H22O13/c23-11-3-1-9(5-12(11)24)2-4-16(27)35-22-20(31)19(30)18(29)15(34-22)8-33-21(32)10-6-13(25)17(28)14(26)7-10/h1-7,15,18-20,22-26,28-31H,8H2 |
InChI Key | SZYUZVASEFYUCP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O13 |
Molecular Weight | 494.40 g/mol |
Exact Mass | 494.10604075 g/mol |
Topological Polar Surface Area (TPSA) | 224.00 Ų |
XlogP | 0.00 |
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 | 99.79% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.83% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 96.90% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.85% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.70% | 96.00% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 93.59% | 83.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.79% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.15% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.60% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.16% | 96.09% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.00% | 80.78% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.34% | 90.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.11% | 95.64% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.90% | 97.09% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.40% | 95.50% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.98% | 85.31% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.17% | 95.56% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.93% | 97.36% |
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.
Balanophora japonica |
Myriophyllum verticillatum |
PubChem | 162890460 |
LOTUS | LTS0273209 |
wikiData | Q105264504 |