(1R,13S)-13-methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione
| Internal ID | 1cbe4e33-69aa-4a73-b394-7a2fd5616139 |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones > Benzoisochromanequinones |
| IUPAC Name | (1R,13S)-13-methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione |
| SMILES (Canonical) | CC12CC3=C(C(O1)CO2)C(=O)C4=CC=CC=C4C3=O |
| SMILES (Isomeric) | C[C@@]12CC3=C([C@@H](O1)CO2)C(=O)C4=CC=CC=C4C3=O |
| InChI | InChI=1S/C15H12O4/c1-15-6-10-12(11(19-15)7-18-15)14(17)9-5-3-2-4-8(9)13(10)16/h2-5,11H,6-7H2,1H3/t11-,15-/m0/s1 |
| InChI Key | ZKIRNBLLNJPYKG-NHYWBVRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.25 g/mol |
| Exact Mass | 256.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1R,13S)-13-methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1r13s-13-methyl-1416-dioxatetracyclo11210211049hexadeca-211468-tetraene-310-dione.jpg "2D Structure of (1R,13S)-13-methyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-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 | 96.83% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.41% | 82.69% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.53% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.99% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.19% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.23% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.01% | 89.00% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.91% | 95.48% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.49% | 94.75% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.37% | 91.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.10% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.63% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.55% | 95.83% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.03% | 96.67% |
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.
| Dolichopentas longiflora |
| PubChem | 46854652 |
| LOTUS | LTS0216339 |
| wikiData | Q105378481 |