2-[[4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | f172546a-00d0-492c-8ac6-b9804a3af6ff |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 2-[[4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=C2C(=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)C)OC4C(C(C(C(O4)CO)O)O)O)C(CC(O2)C5=CC=C(C=C5)OC)O |
| SMILES (Isomeric) | CC1=C2C(=C(C(=C1OC3C(C(C(C(O3)CO)O)O)O)C)OC4C(C(C(C(O4)CO)O)O)O)C(CC(O2)C5=CC=C(C=C5)OC)O |
| InChI | InChI=1S/C30H40O15/c1-11-26(44-29-24(38)22(36)20(34)17(9-31)42-29)12(2)28(45-30-25(39)23(37)21(35)18(10-32)43-30)19-15(33)8-16(41-27(11)19)13-4-6-14(40-3)7-5-13/h4-7,15-18,20-25,29-39H,8-10H2,1-3H3 |
| InChI Key | WZHCAAJIMBUYAS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O15 |
| Molecular Weight | 640.60 g/mol |
| Exact Mass | 640.23672056 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of 2-[[4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/9070c010-853f-11ee-ac52-2729edc44796.jpg "2D Structure of 2-[[4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.36% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.49% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.22% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.45% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.65% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.73% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.37% | 85.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.97% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.67% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.41% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.09% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 73817562 |
| LOTUS | LTS0052525 |
| wikiData | Q105323150 |