10-Hydroxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
| Internal ID | ce56f3ab-a65a-4189-9b24-2c7ccd03b140 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
| IUPAC Name | 10-hydroxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one |
| SMILES (Canonical) | CC1=CC2=C(C(=C3C(=C2)C=CC=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)C(=O)O1 |
| SMILES (Isomeric) | CC1=CC2=C(C(=C3C(=C2)C=CC=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)C(=O)O1 |
| InChI | InChI=1S/C26H30O14/c1-9-5-11-6-10-3-2-4-12(15(10)19(30)16(11)24(35)37-9)38-26-23(34)21(32)18(29)14(40-26)8-36-25-22(33)20(31)17(28)13(7-27)39-25/h2-6,13-14,17-18,20-23,25-34H,7-8H2,1H3 |
| InChI Key | JVWGLNARQPBBMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O14 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/f3e0a490-8601-11ee-95ba-a9b9e52d5d33.jpg "2D Structure of 10-Hydroxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.44% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.99% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.97% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.35% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.53% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.06% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.84% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.06% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.82% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.88% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.83% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.82% | 97.09% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.22% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.02% | 99.15% |
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.
| Senna obtusifolia |
| Senna tora |
| PubChem | 137796324 |
| LOTUS | LTS0155761 |
| wikiData | Q105135998 |