3-[9-Hydroxy-10-(hydroxymethyl)-3,7-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydrophenanthren-2-yl]prop-2-enal
| Internal ID | 90f42272-29f1-4a85-afa1-fd20c87b3340 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 3-[9-hydroxy-10-(hydroxymethyl)-3,7-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydrophenanthren-2-yl]prop-2-enal |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3OC4C(C(C(C(O4)CO)O)O)O)OC)C=CC=O)C(C2O)CO |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3OC4C(C(C(C(O4)CO)O)O)O)OC)C=CC=O)C(C2O)CO |
| InChI | InChI=1S/C26H30O11/c1-34-13-5-6-14-16(9-13)20(30)17(10-28)15-8-12(4-3-7-27)24(35-2)25(19(14)15)37-26-23(33)22(32)21(31)18(11-29)36-26/h3-9,17-18,20-23,26,28-33H,10-11H2,1-2H3 |
| InChI Key | RYOIXTXQSJPJMG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O11 |
| Molecular Weight | 518.50 g/mol |
| Exact Mass | 518.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 3-[9-Hydroxy-10-(hydroxymethyl)-3,7-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydrophenanthren-2-yl]prop-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/9d83d1a0-8626-11ee-8c01-dfcf09a5de91.jpg "2D Structure of 3-[9-Hydroxy-10-(hydroxymethyl)-3,7-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydrophenanthren-2-yl]prop-2-enal")
| 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 | 99.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.33% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.31% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.95% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.58% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.15% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.05% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.30% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.97% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.07% | 93.31% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.71% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.63% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.52% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.63% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.75% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.22% | 92.62% |
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.
| There are no matching plants. |
| PubChem | 85306719 |
| LOTUS | LTS0127184 |
| wikiData | Q105247734 |