1,2,5-Trimethoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one
| Internal ID | 65a2983b-cedf-483f-89e1-80cd73b7d97d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,2,5-trimethoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one |
| SMILES (Canonical) | CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3OC)OC)OC |
| SMILES (Isomeric) | CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3OC)OC)OC |
| InChI | InChI=1S/C21H22O5/c1-7-21(2,3)13-11-15(24-5)20(25-6)16-17(22)12-9-8-10-14(23-4)18(12)26-19(13)16/h7-11H,1H2,2-6H3 |
| InChI Key | IQVVWOPFAXMZPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.01% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.41% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.36% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.35% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.00% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.86% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.70% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.50% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.55% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.46% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.85% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.35% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.22% | 80.78% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.74% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.83% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.45% | 96.00% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 80.34% | 82.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.23% | 92.62% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.17% | 97.33% |
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 vilersiana |
| PubChem | 162964107 |
| LOTUS | LTS0049508 |
| wikiData | Q105118632 |