2-[5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 751ad04d-4406-4ba7-b5a8-a70917011e5b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 2-[5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=C(C(=C1OC)OC2C(C(C(C(O2)CO)O)O)O)C3CC4=C(C=C(C=C4)O)OC3)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C(=C1OC)OC2C(C(C(C(O2)CO)O)O)O)C3CC4=C(C=C(C=C4)O)OC3)OC5C(C(C(C(O5)CO)O)O)O |
| InChI | InChI=1S/C29H38O16/c1-39-26-16(42-28-23(37)21(35)19(33)17(8-30)43-28)7-14(12-5-11-3-4-13(32)6-15(11)41-10-12)25(27(26)40-2)45-29-24(38)22(36)20(34)18(9-31)44-29/h3-4,6-7,12,17-24,28-38H,5,8-10H2,1-2H3 |
| InChI Key | SRVGYVIWVOOXQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O16 |
| Molecular Weight | 642.60 g/mol |
| Exact Mass | 642.21598512 g/mol |
| Topological Polar Surface Area (TPSA) | 247.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 2-[5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/57bc1b50-85dc-11ee-8cb3-ebfb787be359.jpg "2D Structure of 2-[5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.56% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.84% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.05% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.40% | 86.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.21% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.93% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.34% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.04% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.03% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.95% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.62% | 90.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.89% | 95.83% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.31% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.99% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.22% | 95.56% |
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.
| Astragalus mongholicus |
| PubChem | 162842486 |
| LOTUS | LTS0087633 |
| wikiData | Q105259447 |