5-(3,7-Dimethylocta-2,6-dienyl)-6,10-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
| Internal ID | a0b146f9-8e04-4465-97e0-f43f6d149345 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 5-(3,7-dimethylocta-2,6-dienyl)-6,10-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C=C(C=C4)O)C=CC(O2)(C)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C=C(C=C4)O)C=CC(O2)(C)C)C)C |
| InChI | InChI=1S/C28H30O5/c1-16(2)7-6-8-17(3)9-11-20-25(31)23-24(30)19-12-10-18(29)15-22(19)32-27(23)21-13-14-28(4,5)33-26(20)21/h7,9-10,12-15,29,31H,6,8,11H2,1-5H3 |
| InChI Key | WUGOVOJKFCGSKF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O5 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 5-(3,7-Dimethylocta-2,6-dienyl)-6,10-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-37-dimethylocta-26-dienyl-610-dihydroxy-33-dimethylpyrano23-cxanthen-7-one.jpg "2D Structure of 5-(3,7-Dimethylocta-2,6-dienyl)-6,10-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-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 | 99.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.15% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.78% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.97% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.19% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.46% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.67% | 80.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.54% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.29% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.01% | 93.10% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.22% | 92.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.45% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.22% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.05% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.94% | 85.30% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.01% | 98.35% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.92% | 91.38% |
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.
| Kayea beccariana |
| PubChem | 162914459 |
| LOTUS | LTS0219041 |
| wikiData | Q105313048 |