1-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,3-dimethoxy-7-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | e34c513b-c236-4234-b437-0f2e430d64d1 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,3-dimethoxy-7-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=CC(=C1OC)OC)OC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C2C(=CC(=C1OC)OC)OC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)/C)C |
| InChI | InChI=1S/C30H36O6/c1-17(2)9-8-10-19(5)12-14-21-26-24(16-25(34-6)30(21)35-7)36-23-15-22(31)20(13-11-18(3)4)28(32)27(23)29(26)33/h9,11-12,15-16,31-32H,8,10,13-14H2,1-7H3/b19-12+ |
| InChI Key | NIIDGSKOWSBCBF-XDHOZWIPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O6 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,3-dimethoxy-7-(3-methylbut-2-enyl)xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-2e-37-dimethylocta-26-dienyl-68-dihydroxy-23-dimethoxy-7-3-methylbut-2-enylxanthen-9-one.jpg "2D Structure of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,3-dimethoxy-7-(3-methylbut-2-enyl)xanthen-9-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 | 99.26% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.25% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.66% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.87% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.43% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.20% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.20% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.66% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.68% | 92.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.56% | 89.34% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.81% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.25% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.21% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.76% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.24% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.99% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.45% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.32% | 90.71% |
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 oliveri |
| PubChem | 44203255 |
| LOTUS | LTS0176464 |
| wikiData | Q105179827 |