5-(2,3-Dihydroxy-3-methylbut-1-enyl)-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one
| Internal ID | e71426aa-9b0d-4c69-b2b1-88f8e25a29cb |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 5-(2,3-dihydroxy-3-methylbut-1-enyl)-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H26O9/c1-25(2,32)17(30)7-10-13(27)8-14(28)19-21(31)11-6-12-18-20(23(11)34-22(10)19)16(33-5)9-15(29)24(18)35-26(12,3)4/h7-9,12,27-30,32H,6H2,1-5H3 |
| InChI Key | SANABEXHOAVUFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O9 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 5-(2,3-Dihydroxy-3-methylbut-1-enyl)-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/58152960-856c-11ee-bd0c-3bba0261034a.jpg "2D Structure of 5-(2,3-Dihydroxy-3-methylbut-1-enyl)-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-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 | 99.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.92% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.86% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.30% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.98% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.36% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.52% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.54% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.52% | 91.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.03% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.80% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.43% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.94% | 94.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.76% | 96.90% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.01% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.18% | 99.23% |
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.
| Artocarpus elasticus |
| PubChem | 163009592 |
| LOTUS | LTS0020311 |
| wikiData | Q105248972 |