5-Hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraen-12-one
| Internal ID | a6093df5-db74-4cb4-8c7e-9fd35e361924 |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | 5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraen-12-one |
| SMILES (Canonical) | CN1CCC23C=C(C(=O)CC2C1CC4=CC(=C(C=C34)OC)O)OC |
| SMILES (Isomeric) | CN1CCC23C=C(C(=O)CC2C1CC4=CC(=C(C=C34)OC)O)OC |
| InChI | InChI=1S/C19H23NO4/c1-20-5-4-19-10-18(24-3)16(22)8-13(19)14(20)6-11-7-15(21)17(23-2)9-12(11)19/h7,9-10,13-14,21H,4-6,8H2,1-3H3 |
| InChI Key | IXNZNQMODAROFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/90c173b0-86a6-11ee-a6f8-d9281dc3e9df.jpg "2D Structure of 5-Hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraen-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.89% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.25% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.19% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.69% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.26% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.19% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.68% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.41% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.54% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.43% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.11% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.97% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.79% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.70% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.64% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.72% | 92.94% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.45% | 82.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.86% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.37% | 93.03% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.93% | 98.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.99% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.10% | 94.45% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.42% | 96.86% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.28% | 99.35% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.67% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.37% | 91.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 89.50% |
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.
| Dehaasia longipedicellata |
| Ocotea acutangula |
| PubChem | 74026210 |
| LOTUS | LTS0179696 |
| wikiData | Q105122311 |