2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
| Internal ID | 5f9d0d11-e4f0-4f02-85ba-8e4c753e1a2f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)O)OC)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)O)OC)O)O)O)O)O)O)O |
| InChI | InChI=1S/C28H32O17/c1-8-17(33)20(36)22(38)27(42-8)41-7-15-18(34)21(37)23(39)28(44-15)45-26-19(35)16-11(30)5-10(29)6-14(16)43-24(26)9-3-12(31)25(40-2)13(32)4-9/h3-6,8,15,17-18,20-23,27-34,36-39H,7H2,1-2H3/t8-,15+,17-,18+,20+,21-,22+,23+,27+,28-/m0/s1 |
| InChI Key | HUWKDTSUZUFXJV-UKYSFDKRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O17 |
| Molecular Weight | 640.50 g/mol |
| Exact Mass | 640.16394955 g/mol |
| Topological Polar Surface Area (TPSA) | 275.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/807bca00-8313-11ee-a343-bf5c28f61e43.jpg "2D Structure of 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-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 | 99.52% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.38% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.66% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.56% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.62% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.77% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.44% | 95.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.09% | 85.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.55% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.84% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.09% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.38% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.17% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 80.88% | 90.71% |
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.
| Ginkgo biloba |
| PubChem | 100618036 |
| LOTUS | LTS0017866 |
| wikiData | Q105034095 |