(1R,9R)-5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one
| Internal ID | 11ad6923-a961-401b-bfd8-5087402e3e75 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (1R,9R)-5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one |
| SMILES (Canonical) | CN1CCC23C=C(C(=O)C=C2C1CC4=CC(=C(C=C34)OC)O)OC |
| SMILES (Isomeric) | CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=CC(=C(C=C34)OC)O)OC |
| InChI | InChI=1S/C19H21NO4/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/h7-10,14,21H,4-6H2,1-3H3/t14-,19-/m1/s1 |
| InChI Key | FBCNBECEGOCMPI-AUUYWEPGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,9R)-5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/f9924d90-8415-11ee-8bcf-3f0a4561b8b3.jpg "2D Structure of (1R,9R)-5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-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 | 99.12% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.09% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.25% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 95.07% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.16% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.46% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.15% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.78% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.70% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.75% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.21% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.99% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.70% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.31% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.27% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.21% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.51% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.46% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.13% | 91.07% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.91% | 98.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.60% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.78% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.64% | 97.05% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.14% | 89.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.46% | 96.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.28% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.19% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.87% | 82.69% |
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.
| Annona purpurea |
| Ocotea acutifolia |
| PubChem | 24939779 |
| LOTUS | LTS0009484 |
| wikiData | Q104992563 |