Darlingine
| Internal ID | 27b0a80f-eafb-42ac-8a2a-43cebf283e98 |
| Taxonomy | Organoheterocyclic compounds > Cycloheptapyrans |
| IUPAC Name | 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one |
| SMILES (Canonical) | CC1=C(OC2=C(C1=O)C3CCC(C2)N3C)C |
| SMILES (Isomeric) | CC1=C(OC2=C(C1=O)C3CCC(C2)N3C)C |
| InChI | InChI=1S/C13H17NO2/c1-7-8(2)16-11-6-9-4-5-10(14(9)3)12(11)13(7)15/h9-10H,4-6H2,1-3H3 |
| InChI Key | WBTZDCUVPGAROE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.28 g/mol |
| Exact Mass | 219.125928785 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 1.40 |
| 58471-10-6 |
| C10857 |
| NSC333057 |
| NSC-333057 |
| 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one |
| AC1L7CJ9 |
| CHEBI:4326 |
| DTXSID10318608 |
| AKOS040734699 |
| Q27106338 |
| 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 | 96.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.56% | 95.56% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.45% | 95.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.92% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.72% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.59% | 99.23% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.66% | 95.62% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.45% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.52% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.27% | 93.40% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.05% | 92.50% |
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.
| Bellendena montana |
| Darlingia darlingiana |
| Darlingia ferruginea |
| Triunia erythrocarpa |
| PubChem | 333105 |
| LOTUS | LTS0167681 |
| wikiData | Q27106338 |