2-[4,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | 731bb987-034e-4ac3-b496-3113673fbf2e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 2-[4,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1=C(C(=CC(=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)C3=CC(=O)C4=C(O3)C=C(C(=C4O)OC5C(C(C(C(O5)CO)O)O)O)O |
| SMILES (Isomeric) | C1=C(C(=CC(=C1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=CC(=O)C4=C(O3)C=C(C(=C4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
| InChI | InChI=1S/C27H30O18/c28-5-15-18(34)21(37)23(39)26(43-15)42-13-2-9(31)8(30)1-7(13)12-3-10(32)17-14(41-12)4-11(33)25(20(17)36)45-27-24(40)22(38)19(35)16(6-29)44-27/h1-4,15-16,18-19,21-24,26-31,33-40H,5-6H2/t15-,16-,18-,19-,21+,22+,23-,24-,26-,27+/m1/s1 |
| InChI Key | QEARALIGAFZBGA-XPMDYLBGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O18 |
| Molecular Weight | 642.50 g/mol |
| Exact Mass | 642.14321410 g/mol |
| Topological Polar Surface Area (TPSA) | 306.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of 2-[4,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/886eff10-86b0-11ee-a248-093425660b3b.jpg "2D Structure of 2-[4,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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 | 99.55% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.75% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.75% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.75% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.15% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.21% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.62% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.79% | 86.92% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.43% | 83.57% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.98% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.12% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.06% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.91% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.86% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.06% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.17% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.05% | 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.
| Artemisia capillaris |
| PubChem | 102574991 |
| LOTUS | LTS0255262 |
| wikiData | Q105219089 |