(1S,13R)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one
| Internal ID | 01239b3e-bbc3-4568-9a74-5ab6839b1049 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (1S,13R)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one |
| SMILES (Canonical) | CN1CCC23C1(CCC4=CC5=C(C(=C42)OC)OCO5)CC(=O)C(=C3)OC |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@]1(CCC4=CC5=C(C(=C42)OC)OCO5)CC(=O)C(=C3)OC |
| InChI | InChI=1S/C20H23NO5/c1-21-7-6-19-10-15(23-2)13(22)9-20(19,21)5-4-12-8-14-17(26-11-25-14)18(24-3)16(12)19/h8,10H,4-7,9,11H2,1-3H3/t19-,20+/m0/s1 |
| InChI Key | ABMKGESNDNGXSF-VQTJNVASSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (1S,13R)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/2aaad0d0-86c8-11ee-9e89-a350d5b6b8d1.jpg "2D Structure of (1S,13R)-3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.16% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.74% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.10% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.98% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.67% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.90% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.28% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.25% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.75% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.82% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.36% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.63% | 82.38% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.61% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.65% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.38% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.70% | 90.24% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.40% | 98.00% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 80.58% | 95.71% |
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.
| Stephania pierrei |
| Stephania suberosa |
| PubChem | 101306720 |
| LOTUS | LTS0116103 |
| wikiData | Q104908697 |