Methyl 4-[11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoate
| Internal ID | db9248c3-32a2-42a8-88f8-892431645928 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | methyl 4-[11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H42O9/c1-17(2)11-12-20-25(36)23-26(37)21-15-33(41-10)16-22-32(7,8)44-34(30(33)39,14-13-18(3)29(38)40-9)35(21,22)43-28(23)24-27(20)42-19(4)31(24,5)6/h11,13,15,19,22,36H,12,14,16H2,1-10H3 |
| InChI Key | GLWVKEXUTBAGCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H42O9 |
| Molecular Weight | 606.70 g/mol |
| Exact Mass | 606.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of Methyl 4-[11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4b3b9a30-853b-11ee-a0f0-ef3039e10c0e.jpg "2D Structure of Methyl 4-[11-hydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoate")
| 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 | 99.30% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.21% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.50% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.53% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.78% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.27% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.95% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.88% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.12% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.69% | 91.07% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.40% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.40% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.31% | 91.24% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.10% | 82.38% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.35% | 80.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.01% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.36% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.16% | 97.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.29% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.73% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.18% | 94.33% |
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.
| Garcinia scortechinii |
| PubChem | 85360214 |
| LOTUS | LTS0052868 |
| wikiData | Q105011394 |