4-[6,8-Dihydroxy-7-(2-hydroxy-3-methylbut-3-enyl)-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enal
| Internal ID | db50b4e5-c677-47d2-9281-0b502c16e569 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 4-[6,8-dihydroxy-7-(2-hydroxy-3-methylbut-3-enyl)-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enal |
| SMILES (Canonical) | CC(=CCC1=C(C(=C(C2=C1OC34C5CC(C=C3C2=O)C(=O)C4(OC5(C)C)CC=C(C)C=O)O)CC(C(=C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C(C2=C1OC34C5CC(C=C3C2=O)C(=O)C4(OC5(C)C)CC=C(C)C=O)O)CC(C(=C)C)O)O)C |
| InChI | InChI=1S/C33H38O8/c1-16(2)8-9-20-26(36)21(14-23(35)17(3)4)27(37)25-28(38)22-12-19-13-24-31(6,7)41-32(30(19)39,11-10-18(5)15-34)33(22,24)40-29(20)25/h8,10,12,15,19,23-24,35-37H,3,9,11,13-14H2,1-2,4-7H3 |
| InChI Key | FAGBSUBPJIOUSP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H38O8 |
| Molecular Weight | 562.60 g/mol |
| Exact Mass | 562.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 4-[6,8-Dihydroxy-7-(2-hydroxy-3-methylbut-3-enyl)-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/9c122c40-8842-11ee-bbcf-155acce3c46e.jpg "2D Structure of 4-[6,8-Dihydroxy-7-(2-hydroxy-3-methylbut-3-enyl)-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-15-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 | 99.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.74% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.08% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.33% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.19% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.11% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.03% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.18% | 96.90% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.06% | 92.68% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.79% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.79% | 91.49% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.34% | 95.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.21% | 93.40% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.61% | 95.50% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.08% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.08% | 86.33% |
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 gaudichaudii |
| PubChem | 73657204 |
| LOTUS | LTS0089448 |
| wikiData | Q104992237 |