Tannagine
| Internal ID | ba52fa8e-c78a-40a4-981b-e0ada13ea9e4 |
| Taxonomy | Alkaloids and derivatives > Morphinans |
| IUPAC Name | (1R,9S,10R)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one |
| SMILES (Canonical) | CN1CCC23CC(=O)C(=C(C2C1CC4=CC(=C(C=C34)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23CC(=O)C(=C([C@H]2[C@@H]1CC4=CC(=C(C=C34)OC)OC)OC)OC |
| InChI | InChI=1S/C21H27NO5/c1-22-7-6-21-11-15(23)19(26-4)20(27-5)18(21)14(22)8-12-9-16(24-2)17(25-3)10-13(12)21/h9-10,14,18H,6-8,11H2,1-5H3/t14-,18+,21-/m0/s1 |
| InChI Key | YRYHFXJRUQQCBR-HLLQZAQXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27NO5 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.20 |
| AKOS040763316 |
| 123750-34-5 |
| 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 | 97.98% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.79% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.75% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.37% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.92% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.31% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.09% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.18% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.15% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.94% | 93.04% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.00% | 97.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.40% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.99% | 85.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.82% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.45% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.23% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.83% | 92.94% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.42% | 99.18% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.87% | 98.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.62% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.54% | 91.07% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.19% | 92.38% |
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 cephalantha |
| Stephania zippeliana |
| PubChem | 14394585 |
| LOTUS | LTS0183085 |
| wikiData | Q105353254 |