(9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione
| Internal ID | 5afbae2b-162d-4663-bf9c-f8381dbf7f66 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione |
| SMILES (Canonical) | CC1CC2=C(C(=O)C3=C(C2=O)C=CC4=C3C=CC(=C4C)C)OC1 |
| SMILES (Isomeric) | C[C@@H]1CC2=C(C(=O)C3=C(C2=O)C=CC4=C3C=CC(=C4C)C)OC1 |
| InChI | InChI=1S/C20H18O3/c1-10-8-16-18(21)15-7-6-13-12(3)11(2)4-5-14(13)17(15)19(22)20(16)23-9-10/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1 |
| InChI Key | IRINNKUOFOYZDG-SNVBAGLBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9r-349-trimethyl-910-dihydro-8h-naphtho21-gchromene-712-dione.jpg "2D Structure of (9R)-3,4,9-trimethyl-9,10-dihydro-8H-naphtho[2,1-g]chromene-7,12-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.15% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.69% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.02% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.31% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.76% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.34% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.12% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.59% | 96.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.17% | 86.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.28% | 96.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.14% | 94.73% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.10% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.83% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.56% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.14% | 97.09% |
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.
| Clerodendrum bungei |
| PubChem | 163046356 |
| LOTUS | LTS0084755 |
| wikiData | Q105118890 |