13-(Hydroxyiminomethyl)-6,8-dimethoxy-5-methyl-11-pyridin-2-yl-2,4,9-trioxa-12-azatricyclo[8.4.0.03,8]tetradeca-1(10),11,13-trien-7-ol
| Internal ID | 060f09a5-e06b-449e-9604-352a2a812c8b |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines |
| IUPAC Name | 13-(hydroxyiminomethyl)-6,8-dimethoxy-5-methyl-11-pyridin-2-yl-2,4,9-trioxa-12-azatricyclo[8.4.0.03,8]tetradeca-1(10),11,13-trien-7-ol |
| SMILES (Canonical) | CC1C(C(C2(C(O1)OC3=C(O2)C(=NC(=C3)C=NO)C4=CC=CC=N4)OC)O)OC |
| SMILES (Isomeric) | CC1C(C(C2(C(O1)OC3=C(O2)C(=NC(=C3)C=NO)C4=CC=CC=N4)OC)O)OC |
| InChI | InChI=1S/C19H21N3O7/c1-10-15(25-2)17(23)19(26-3)18(27-10)28-13-8-11(9-21-24)22-14(16(13)29-19)12-6-4-5-7-20-12/h4-10,15,17-18,23-24H,1-3H3 |
| InChI Key | YNXSNSIBBVMOQU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21N3O7 |
| Molecular Weight | 403.40 g/mol |
| Exact Mass | 403.13795002 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 13-(Hydroxyiminomethyl)-6,8-dimethoxy-5-methyl-11-pyridin-2-yl-2,4,9-trioxa-12-azatricyclo[8.4.0.03,8]tetradeca-1(10),11,13-trien-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ae73fa80-86b4-11ee-8fd2-33be43b6c6dd.jpg "2D Structure of 13-(Hydroxyiminomethyl)-6,8-dimethoxy-5-methyl-11-pyridin-2-yl-2,4,9-trioxa-12-azatricyclo[8.4.0.03,8]tetradeca-1(10),11,13-trien-7-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.68% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.76% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.64% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.54% | 94.73% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 93.44% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.63% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.00% | 96.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.69% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.55% | 91.49% |
| CHEMBL251 | P29274 | Adenosine A2a receptor | 89.21% | 94.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.50% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.93% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.82% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.56% | 96.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.09% | 96.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 83.87% | 88.00% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 83.86% | 93.85% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.94% | 82.38% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.54% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.51% | 90.24% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.28% | 87.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.79% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 163062522 |
| LOTUS | LTS0124321 |
| wikiData | Q104201892 |