6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
| Internal ID | 386dcffb-e70e-439f-a45b-90ac3a644dc9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
| IUPAC Name | 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C4C(=C3)C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C4C(=C3)C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O |
| InChI | InChI=1S/C27H30O14/c1-9-20(33)22(35)24(37)27(38-9)41-26-23(36)21(34)19(8-28)40-25(26)12-5-11-14(30)6-17(39-18(11)7-15(12)31)10-2-3-13(29)16(32)4-10/h2-7,9,19-29,31-37H,8H2,1H3/t9-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m1/s1 |
| InChI Key | YWNAZAJUDNEHMF-HKEKTOOPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H30O14 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 236.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/635911a0-858b-11ee-a904-e3784e320ecf.jpg "2D Structure of 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxychromen-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 | 99.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.39% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.30% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.45% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.08% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.97% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.30% | 86.92% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.13% | 97.36% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.96% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.86% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.77% | 95.93% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.35% | 96.37% |
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 | 162888486 |
| LOTUS | LTS0237070 |
| wikiData | Q105366959 |