Naphthoherniarin
| Internal ID | 87e41ac7-4d31-4d65-a845-f66d72e2099c |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-methoxy-8-(7-methoxy-2-oxochromen-6-yl)-6-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=C4C(=C3)C=CC(=O)O4)OC |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=C4C(=C3)C=CC(=O)O4)OC |
| InChI | InChI=1S/C22H16O6/c1-11-6-14(21-15(7-11)16(23)9-19(27-3)22(21)25)13-8-12-4-5-20(24)28-17(12)10-18(13)26-2/h4-10H,1-3H3 |
| InChI Key | MSDIEAZOLJWCBV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H16O6 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 3.60 |
| NSC628363 |
| 2-Methoxy-8-(7-methoxy-2-oxo-2H-chromen-6-yl)-6-methylnaphthoquinone |
| CHEBI:169827 |
| DTXSID901134053 |
| 2-methoxy-8-(7-methoxy-2-oxochromen-6-yl)-6-methylnaphthalene-1,4-dione |
| NSC-628363 |
| 114032-22-3 |
| 2-Methoxy-8-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-6-methyl-1,4-naphthalenedione |
| 2-Methoxy-8-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-6-methyl-1,4-naphthalenedione, 9CI |
| 2-methoxy-8-(7-methoxy-2-oxo-2H-chromen-6-yl)-6-methyl-1,4-dihydronaphthalene-1,4-dione |
| 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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.76% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.49% | 98.95% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.59% | 94.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.75% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.57% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.49% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.98% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.63% | 86.33% |
| CHEMBL2047 | Q96RI1 | Bile acid receptor FXR | 86.51% | 96.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.77% | 89.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.38% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.88% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.59% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.25% | 91.49% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.94% | 92.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.21% | 93.99% |
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.
| Ruta graveolens |
| PubChem | 363452 |
| LOTUS | LTS0074908 |
| wikiData | Q105171107 |