16,18-Dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde
| Internal ID | 5829fff6-b94f-428f-a367-0ae6f4be3215 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde |
| SMILES (Canonical) | CC12CCC3C1C=C4C(=O)C5=CC=CC=C5C(=O)C4(C3(C)C=O)O2 |
| SMILES (Isomeric) | CC12CCC3C1C=C4C(=O)C5=CC=CC=C5C(=O)C4(C3(C)C=O)O2 |
| InChI | InChI=1S/C20H18O4/c1-18(10-21)13-7-8-19(2)14(13)9-15-16(22)11-5-3-4-6-12(11)17(23)20(15,18)24-19/h3-6,9-10,13-14H,7-8H2,1-2H3 |
| InChI Key | NSNGIRMJTMEZBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 16,18-Dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/0040f6b0-8628-11ee-a8a9-b1826fba747a.jpg "2D Structure of 16,18-Dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde")
| 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 | 96.62% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.09% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.22% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.02% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.30% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.12% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.99% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.62% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.43% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.34% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.75% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.71% | 91.49% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.56% | 85.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.81% | 95.93% |
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.
| Stereospermum chelonoides |
| Stereospermum kunthianum |
| PubChem | 75111189 |
| LOTUS | LTS0275251 |
| wikiData | Q105185146 |