N(4)-demethyl-12-methoxyalstogustine
| Internal ID | 6bbb3b2e-94a3-42f1-81f2-2de705ec246c |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | methyl (1R,11S,12R,17S)-12-[(1R)-1-hydroxyethyl]-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate |
| SMILES (Canonical) | CC(C1CN2CCC34C2CC1C(=C3NC5=C4C=CC=C5OC)C(=O)OC)O |
| SMILES (Isomeric) | C[C@H]([C@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5OC)C(=O)OC)O |
| InChI | InChI=1S/C21H26N2O4/c1-11(24)13-10-23-8-7-21-14-5-4-6-15(26-2)18(14)22-19(21)17(20(25)27-3)12(13)9-16(21)23/h4-6,11-13,16,22,24H,7-10H2,1-3H3/t11-,12+,13-,16+,21-/m1/s1 |
| InChI Key | FNDWOLJMJUSGOB-DJBVCAICSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 1.90 |
| CHEBI:70501 |
| CHEMBL1651107 |
| Q27138835 |
| methyl (1R,11S,12R,17S)-12-[(1R)-1-hydroxyethyl]-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate |
| 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 | 99.59% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.14% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.61% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.33% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.32% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.71% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.51% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 87.68% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.54% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.15% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.89% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.50% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.02% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.85% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.66% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.87% | 93.03% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.11% | 94.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.62% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.42% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.90% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.33% | 95.56% |
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.
| Alstonia rostrata |
| Alstonia spatulata |
| PubChem | 11501570 |
| LOTUS | LTS0223274 |
| wikiData | Q27138835 |