[1-(1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl)-3-hydroxy-3-methylbutan-2-yl] acetate
| Internal ID | d05727bc-5dff-4297-8b82-7e7ff224231c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | [1-(1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl)-3-hydroxy-3-methylbutan-2-yl] acetate |
| SMILES (Canonical) | CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C(C)(C)O)OC(=O)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C(C)(C)O)OC(=O)C)O |
| InChI | InChI=1S/C27H30O8/c1-12(2)16-11-33-25-13(3)9-18-21(22(25)23(16)30)24(31)20-17(29)8-7-15(26(20)35-18)10-19(27(5,6)32)34-14(4)28/h7-9,16,19,23,29-30,32H,1,10-11H2,2-6H3 |
| InChI Key | MVIYDMFZAYXAHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O8 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [1-(1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl)-3-hydroxy-3-methylbutan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/03aa28d0-8560-11ee-8e7d-67a7365933ef.jpg "2D Structure of [1-(1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-8-yl)-3-hydroxy-3-methylbutan-2-yl] 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 | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.02% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.32% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.93% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.54% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.90% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.87% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.39% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.20% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.64% | 89.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.50% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.80% | 92.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.50% | 90.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.24% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.12% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.98% | 95.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.46% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.97% | 93.65% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.43% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.26% | 94.80% |
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 | 76389349 |
| LOTUS | LTS0193240 |
| wikiData | Q104172100 |