(6aS,7R,12aR)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7-triol
| Internal ID | 26c628e6-7825-4413-a8ac-3b1c092122a8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (6aS,7R,12aR)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O11/c23-6-15-17(27)18(28)19(29)22(33-15)31-9-1-2-10-14(4-9)32-20-11-5-13(25)12(24)3-8(11)7-30-21(20)16(10)26/h1-5,15-29H,6-7H2/t15-,16-,17-,18+,19-,20-,21+,22-/m1/s1 |
| InChI Key | GLOQXLMTMHDZPK-YBYOCDOASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O11 |
| Molecular Weight | 464.40 g/mol |
| Exact Mass | 464.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (6aS,7R,12aR)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/3b27d320-8560-11ee-bea9-7f252861bb4b.jpg "2D Structure of (6aS,7R,12aR)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.69% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.84% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.53% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.66% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.05% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.00% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.98% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.98% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.71% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.92% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.82% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.04% | 94.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.48% | 95.83% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.21% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.08% | 93.40% |
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.
| Lysidice brevicalyx |
| PubChem | 46844953 |
| LOTUS | LTS0126179 |
| wikiData | Q105011134 |