4-Hydroxy-5,17-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-9-one
Internal ID | 241c9038-0572-4a3f-91fa-861e0bbc098e |
Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
IUPAC Name | 4-hydroxy-5,17-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-9-one |
SMILES (Canonical) | COC1=C(C2=C(C=C1)C(=O)C3=NC=CC4=C3C(=C(C=C4)OC)O2)O |
SMILES (Isomeric) | COC1=C(C2=C(C=C1)C(=O)C3=NC=CC4=C3C(=C(C=C4)OC)O2)O |
InChI | InChI=1S/C18H13NO5/c1-22-11-6-4-10-15(20)14-13-9(7-8-19-14)3-5-12(23-2)18(13)24-17(10)16(11)21/h3-8,21H,1-2H3 |
InChI Key | JBWYXHCUKXERPB-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C18H13NO5 |
Molecular Weight | 323.30 g/mol |
Exact Mass | 323.07937252 g/mol |
Topological Polar Surface Area (TPSA) | 77.90 Ų |
XlogP | 3.10 |
There are no found synonyms. |
![2D Structure of 4-Hydroxy-5,17-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-9-one 2D Structure of 4-Hydroxy-5,17-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/e32b78b0-86ae-11ee-b7e5-45caf1c95a71.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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.03% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.35% | 94.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.56% | 99.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.98% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.67% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.23% | 85.14% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.21% | 94.42% |
CHEMBL2535 | P11166 | Glucose transporter | 89.97% | 98.75% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.19% | 93.65% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.97% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 87.80% | 90.20% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.26% | 94.75% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.76% | 96.00% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.64% | 96.67% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.00% | 85.30% |
CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.77% | 96.47% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.61% | 94.03% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.72% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.88% | 95.78% |
CHEMBL2581 | P07339 | Cathepsin D | 80.59% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.55% | 89.62% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.32% | 96.00% |
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.
Sarcocapnos baetica |
Sarcocapnos crassifolia |
Sarcocapnos enneaphylla |
PubChem | 14194054 |
LOTUS | LTS0128376 |
wikiData | Q104251723 |