(17S)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-12,21,23-trihydroxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-one
| Internal ID | 0954993a-7c09-40fd-a361-5b918623d9c3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (17S)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-12,21,23-trihydroxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H38O7/c1-17(2)9-8-10-18(3)11-12-19-28(38)27-29(39)21-15-22-25-26(23(36)16-24(37)33(25)42-35(22,6)7)32(21)40-31(27)20-13-14-34(4,5)41-30(19)20/h9,11,13-14,16,22,36-38H,8,10,12,15H2,1-7H3/b18-11+/t22-/m0/s1 |
| InChI Key | UJHMTIUPFDVYQA-VLBBBODESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H38O7 |
| Molecular Weight | 570.70 g/mol |
| Exact Mass | 570.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of (17S)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-12,21,23-trihydroxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/d9a4d6b0-84fd-11ee-ac4c-dd997f4bfa81.jpg "2D Structure of (17S)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-12,21,23-trihydroxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-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 | 99.95% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.33% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.71% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.62% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.33% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.98% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.01% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.41% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.49% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.83% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.02% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.28% | 95.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.99% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.12% | 97.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.73% | 80.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.27% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.51% | 91.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.77% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.37% | 96.90% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.07% | 94.75% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.68% | 80.96% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.68% | 85.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.42% | 85.14% |
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 | 15939770 |
| LOTUS | LTS0195640 |
| wikiData | Q105273947 |