4-[11,15-Dihydroxy-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-trien-18-yl]-2-methylbut-2-enal
| Internal ID | 724db9ba-fcb6-4ffb-b10b-dc80543d1286 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 4-[11,15-dihydroxy-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-trien-18-yl]-2-methylbut-2-enal |
| SMILES (Canonical) | CC1C(C2=C(O1)C(=C(C3=C2OC45C6CC(C(C4C3=O)O)(C(=O)C5(OC6(C)C)CC=C(C)C=O)OC)O)CC=C(C)C)(C)C |
| SMILES (Isomeric) | CC1C(C2=C(O1)C(=C(C3=C2OC45C6CC(C(C4C3=O)O)(C(=O)C5(OC6(C)C)CC=C(C)C=O)OC)O)CC=C(C)C)(C)C |
| InChI | InChI=1S/C34H42O9/c1-16(2)10-11-19-24(36)21-25(37)22-28(38)32(40-9)14-20-31(7,8)43-33(29(32)39,13-12-17(3)15-35)34(20,22)42-27(21)23-26(19)41-18(4)30(23,5)6/h10,12,15,18,20,22,28,36,38H,11,13-14H2,1-9H3 |
| InChI Key | YMQQTJLXOYGJQT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42O9 |
| Molecular Weight | 594.70 g/mol |
| Exact Mass | 594.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 4-[11,15-Dihydroxy-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-trien-18-yl]-2-methylbut-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/b2c38f60-856d-11ee-9c12-fbbc919d51de.jpg "2D Structure of 4-[11,15-Dihydroxy-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-trien-18-yl]-2-methylbut-2-enal")
| 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 | 98.48% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.72% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.67% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.62% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.82% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.97% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.63% | 96.12% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.32% | 91.49% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.90% | 95.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.36% | 95.89% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 88.29% | 91.23% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.12% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.48% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.30% | 89.34% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.54% | 80.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.36% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.18% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.06% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.78% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.43% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.75% | 94.73% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.73% | 82.38% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.68% | 91.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.12% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.73% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.55% | 89.50% |
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 | 163034259 |
| LOTUS | LTS0134932 |
| wikiData | Q105350693 |