3-hydroxy-N-[3-hydroxy-6-[[8-hydroxy-5-(hydroxymethyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]-2-methyloxan-4-yl]-2-methylbutanamide
| Internal ID | ef585b27-98e4-48bb-8f14-6702076a0938 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 3-hydroxy-N-[3-hydroxy-6-[[8-hydroxy-5-(hydroxymethyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]-2-methyloxan-4-yl]-2-methylbutanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33NO9/c1-13(14(2)30)27(34)28-18-10-22(35-15(3)24(18)32)36-21-9-17(12-29)23-19(31)11-20(37-26(23)25(21)33)16-7-5-4-6-8-16/h4-9,13-15,18,20,22,24,29-30,32-33H,10-12H2,1-3H3,(H,28,34) |
| InChI Key | IHPAYRWYRVVKSK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33NO9 |
| Molecular Weight | 515.60 g/mol |
| Exact Mass | 515.21553163 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3-hydroxy-N-[3-hydroxy-6-[[8-hydroxy-5-(hydroxymethyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]-2-methyloxan-4-yl]-2-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/ae41a090-8538-11ee-b623-a3a5bc13dee9.jpg "2D Structure of 3-hydroxy-N-[3-hydroxy-6-[[8-hydroxy-5-(hydroxymethyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]-2-methyloxan-4-yl]-2-methylbutanamide")
| 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 | 99.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.57% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.53% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.34% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.60% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.49% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.02% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.74% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 87.15% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.92% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.19% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.97% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.57% | 97.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.05% | 83.82% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.02% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.01% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.95% | 95.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.33% | 99.15% |
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 | 73836574 |
| LOTUS | LTS0211364 |
| wikiData | Q104168800 |