2,3-Dimethoxyxanthen-9-one
| Internal ID | dc164c04-9623-438f-852c-7758b157c78f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 2,3-dimethoxyxanthen-9-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)OC |
| InChI | InChI=1S/C15H12O4/c1-17-13-7-10-12(8-14(13)18-2)19-11-6-4-3-5-9(11)15(10)16/h3-8H,1-2H3 |
| InChI Key | FWCWUPRCWDSQEN-UHFFFAOYSA-N |
| Popularity | 21 references in papers |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.25 g/mol |
| Exact Mass | 256.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.30 |
| 42833-49-8 |
| 2,3-Dimethoxyxanthone |
| MLS001143193 |
| CHEMBL1434162 |
| KUC102592N |
| 6,7-Dimethoxyxanthone |
| NSC77511 |
| SCHEMBL7331674 |
| DTXSID80291717 |
| 2,3-dimethoxy-9H-xanthen-9-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein |
5623.4 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.13% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.17% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.52% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.53% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.82% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.36% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.82% | 94.73% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.22% | 92.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.21% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.70% | 93.99% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.43% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.59% | 85.14% |
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.
| Hypericum geminiflorum |
| Mammea odorata |
| Polygala tenuifolia |
| PubChem | 253955 |
| NPASS | NPC231013 |
| ChEMBL | CHEMBL1434162 |
| LOTUS | LTS0088114 |
| wikiData | Q82029758 |