beta-D-Glucopyranoside, 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propenyl, [2R-[2alpha,3beta,5(E)]]-; (2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propen-1-yl beta-D-glucopyranoside
| Internal ID | b439b33a-aa4b-46d8-ab4f-24f7509199f5 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CCOC4C(C(C(C(O4)CO)O)O)O)OC)CO)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CCOC4C(C(C(C(O4)CO)O)O)O)OC)CO)OC |
| InChI | InChI=1S/C27H34O11/c1-33-18-7-6-15(11-19(18)34-2)25-17(12-28)16-9-14(10-20(35-3)26(16)38-25)5-4-8-36-27-24(32)23(31)22(30)21(13-29)37-27/h4-7,9-11,17,21-25,27-32H,8,12-13H2,1-3H3 |
| InChI Key | XANQOACQMNIJQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34O11 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of beta-D-Glucopyranoside, 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propenyl, [2R-[2alpha,3beta,5(E)]]-; (2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propen-1-yl beta-D-glucopyranoside](https://plantaedb.com/storage/docs/compounds/2023/11/b75467d0-85f2-11ee-9145-fd42ea3ff551.jpg "2D Structure of beta-D-Glucopyranoside, 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propenyl, [2R-[2alpha,3beta,5(E)]]-; (2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propen-1-yl beta-D-glucopyranoside")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.21% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.16% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.97% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.75% | 86.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.60% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.77% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.66% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.30% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.87% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.06% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.44% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.32% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.81% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.98% | 95.83% |
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.
| Echinacea purpurea |
| PubChem | 74156858 |
| LOTUS | LTS0088401 |
| wikiData | Q105324012 |