(1S,9R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Internal ID | 16f53ac7-d55b-4251-954e-3b2161657d84 |
Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Pyridinones |
IUPAC Name | (1S,9R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
SMILES (Canonical) | C1C2CN3C(=O)C=CC=C3C1COC2O |
SMILES (Isomeric) | C1[C@@H]2CN3C(=O)C=CC=C3[C@H]1COC2O |
InChI | InChI=1S/C11H13NO3/c13-10-3-1-2-9-8-4-7(5-12(9)10)11(14)15-6-8/h1-3,7-8,11,14H,4-6H2/t7-,8-,11?/m1/s1 |
InChI Key | IDNAHIFOTYBRCJ-KQUALDNSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C11H13NO3 |
Molecular Weight | 207.23 g/mol |
Exact Mass | 207.08954328 g/mol |
Topological Polar Surface Area (TPSA) | 49.80 Ų |
XlogP | -0.10 |
There are no found synonyms. |
![2D Structure of (1S,9R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 2D Structure of (1S,9R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r-10-hydroxy-11-oxa-7-azatricyclo731027trideca-24-dien-6-one.jpg)
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 | 92.64% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.57% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.48% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.99% | 96.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.62% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.81% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.32% | 89.00% |
CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.61% | 96.25% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.12% | 100.00% |
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.
Maackia hupehensis |
PubChem | 10889080 |
LOTUS | LTS0232789 |
wikiData | Q105111427 |