(2S,6R)-8-imino-2,16-dimethoxy-4,4-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraen-3-one
| Internal ID | 6a5d87df-3934-4aa3-a997-72a493ccb8fd |
| Taxonomy | Organoheterocyclic compounds > Furopyridines |
| IUPAC Name | (2S,6R)-8-imino-2,16-dimethoxy-4,4-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraen-3-one |
| SMILES (Canonical) | CC1(CC2CC(=N)C3=C(C2(C1=O)OC)C(=C4C=COC4=N3)OC)C |
| SMILES (Isomeric) | CC1(C[C@@H]2CC(=N)C3=C([C@@]2(C1=O)OC)C(=C4C=COC4=N3)OC)C |
| InChI | InChI=1S/C18H20N2O4/c1-17(2)8-9-7-11(19)13-12(18(9,23-4)16(17)21)14(22-3)10-5-6-24-15(10)20-13/h5-6,9,19H,7-8H2,1-4H3/t9-,18-/m0/s1 |
| InChI Key | ILAVFZJEPCDKQG-YYSFKGJASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20N2O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (2S,6R)-8-imino-2,16-dimethoxy-4,4-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/3206e3f0-8592-11ee-90e4-c94ed402f476.jpg "2D Structure of (2S,6R)-8-imino-2,16-dimethoxy-4,4-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraen-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.68% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.47% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.08% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.35% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.07% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.86% | 85.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.25% | 94.03% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.56% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.76% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.32% | 91.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.51% | 96.67% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.52% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.88% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.10% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.80% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.53% | 98.59% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.01% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.32% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.27% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.22% | 92.97% |
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.
| Sarcomelicope megistophylla |
| PubChem | 163104442 |
| LOTUS | LTS0216786 |
| wikiData | Q105115057 |