8-Geranyl-4-(3,3-dimethylallyl)-7-methoxy-1,3,6-trihydroxyxanthone
| Internal ID | fbc1d4cf-1065-4590-8adc-6df095a5845a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-5-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)OC)/C)C |
| InChI | InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3/b18-11+ |
| InChI Key | SOCAUSWRRPKJMP-WOJGMQOQSA-N |
| Popularity | 3 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 |
| 8-geranyl-4-(3,3-dimethylallyl)-7-methoxy-1,3,6-trihydroxyxanthone |
| 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 | 99.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.02% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.42% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.63% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.04% | 92.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.43% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.35% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.53% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.91% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.86% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.69% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.38% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.85% | 96.95% |
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 nervosa |
| PubChem | 129684883 |
| LOTUS | LTS0153005 |
| wikiData | Q105256841 |