[6-[5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-5-hydroxy-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3H-chromen-2-yl]methyl acetate
| Internal ID | 1cff5bc5-781e-484b-813e-3d3efa82dc3c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | [6-[5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-5-hydroxy-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3H-chromen-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H34O14/c1-14-9-20(38)27-30(43)26-23(48-34(27,12-35)32(14)45-17(4)37)8-6-19(29(26)42)18-5-7-22-25(28(18)41)21(39)11-33(47-22,13-44-16(3)36)31-15(2)10-24(40)46-31/h5-8,14-15,31-32,35,41-43H,9-13H2,1-4H3 |
| InChI Key | BPFIQZRITWQDSC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H34O14 |
| Molecular Weight | 666.60 g/mol |
| Exact Mass | 666.19485575 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [6-[5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-5-hydroxy-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3H-chromen-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c2a95a60-85eb-11ee-b5e8-fbf52369943f.jpg "2D Structure of [6-[5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-5-hydroxy-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3H-chromen-2-yl]methyl acetate")
| 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 | 99.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.27% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.61% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.67% | 98.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.73% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.91% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.24% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.49% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.33% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.44% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.44% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.99% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.21% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.43% | 96.77% |
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.
| There are no matching plants. |
| PubChem | 162816721 |
| LOTUS | LTS0223605 |
| wikiData | Q103816907 |