(6S)-7-(3-hydroxypropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-6-carboxylic acid
| Internal ID | 18a27f83-4332-4df1-a5ad-3f9ff76f8f36 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxylic acids |
| IUPAC Name | (6S)-7-(3-hydroxypropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-6-carboxylic acid |
| SMILES (Canonical) | C1C(N(C2=CC(=O)C(=O)C3=C2C1=CN3)CCCO)C(=O)O |
| SMILES (Isomeric) | C1[C@H](N(C2=CC(=O)C(=O)C3=C2C1=CN3)CCCO)C(=O)O |
| InChI | InChI=1S/C14H14N2O5/c17-3-1-2-16-8-5-10(18)13(19)12-11(8)7(6-15-12)4-9(16)14(20)21/h5-6,9,15,17H,1-4H2,(H,20,21)/t9-/m0/s1 |
| InChI Key | CYYKWZKORNVJIK-VIFPVBQESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H14N2O5 |
| Molecular Weight | 290.27 g/mol |
| Exact Mass | 290.09027155 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (6S)-7-(3-hydroxypropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/c57af080-87f5-11ee-b9e6-db5785364f29.jpg "2D Structure of (6S)-7-(3-hydroxypropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-6-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.22% | 95.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.29% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.68% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.63% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.60% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.23% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.93% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.07% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.00% | 93.00% |
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.
| Ursinia anethoides |
| Ursinia anthemoides |
| PubChem | 24786727 |
| LOTUS | LTS0136804 |
| wikiData | Q105365451 |