5-Hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
| Internal ID | 51e60b66-d402-4a94-854a-edb616cd6bb1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC)O)OC5C(C(C(C(O5)CO)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC)O)OC5C(C(C(C(O5)CO)O)O)O)C |
| InChI | InChI=1S/C33H40O16/c1-13(2)4-9-16-18(45-32-27(42)25(40)22(37)19(11-34)46-32)10-17(36)21-24(39)31(49-33-28(43)26(41)23(38)20(12-35)47-33)29(48-30(16)21)14-5-7-15(44-3)8-6-14/h4-8,10,19-20,22-23,25-28,32-38,40-43H,9,11-12H2,1-3H3 |
| InChI Key | OKSDRSVOPASNHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O16 |
| Molecular Weight | 692.70 g/mol |
| Exact Mass | 692.23163518 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | 1.20 |
| 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one |
| 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
![2D Structure of 5-Hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9246a790-8399-11ee-93ea-35c435bc01a4.jpg "2D Structure of 5-Hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one")
| 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% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.11% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.10% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.85% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.27% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.26% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.86% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.37% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.68% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.60% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.38% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.75% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.01% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.38% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.87% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.79% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.61% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 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.
| Vancouveria hexandra |
| PubChem | 74978141 |
| LOTUS | LTS0210049 |
| wikiData | Q105193723 |