4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5,6-trihydroxy-3-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | 8c0e83dc-697f-41c8-980a-022d9d3906a8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5,6-trihydroxy-3-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C=C(C(=C3O)O)CC=C(C)C)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C=C(C2=C1OC3=C(C2=O)C=C(C(=C3O)O)CC=C(C)C)O)OC)/C)C |
| InChI | InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-23(34-6)15-22(30)24-26(32)21-14-19(12-10-17(3)4)25(31)27(33)29(21)35-28(20)24/h8,10-11,14-15,30-31,33H,7,9,12-13H2,1-6H3/b18-11+ |
| InChI Key | IFIXCYWLTZMGQX-WOJGMQOQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H34O6 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 8.10 |
| CHEMBL3236502 |
![2D Structure of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5,6-trihydroxy-3-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/07/oblongixanthone-b.jpg "2D Structure of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5,6-trihydroxy-3-methoxy-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 | 99.62% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.59% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.29% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.93% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.75% | 94.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.76% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.16% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.15% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.71% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.29% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.30% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.19% | 85.30% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.98% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.49% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.46% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.75% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.70% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.06% | 98.75% |
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.
| Cistanche salsa |
| Garcinia oblongifolia |
| Piper wightii |
| Trifolium resupinatum |
| PubChem | 25209201 |
| NPASS | NPC116304 |
| LOTUS | LTS0136862 |
| wikiData | Q105112204 |