Methyl 12-methoxy-19-oxoibogamine-18-carboxylate
| Internal ID | c20fc81e-83b1-4cb5-b822-2d8815c745a5 |
| Taxonomy | Alkaloids and derivatives > Ibogan-type alkaloids |
| IUPAC Name | methyl 17-ethyl-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate |
| SMILES (Canonical) | CCC1CC2CC3(C1N(C2=O)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
| SMILES (Isomeric) | CCC1CC2CC3(C1N(C2=O)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
| InChI | InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3 |
| InChI Key | LTQINICYLGNLHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26N2O4 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 2.70 |
| 3306-59-0 |
| Ibogamine-18-carboxylic acid, 12-methoxy-19-oxo-, methyl ester |
| ACon1_001360 |
| DTXSID50954680 |
| BRD-A03106275-001-01-5 |
| 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 | 99.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.96% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.08% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 97.44% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 95.09% | 98.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.72% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.77% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.55% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.19% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.99% | 96.77% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.39% | 96.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.18% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.08% | 92.94% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.71% | 86.92% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.07% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.68% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.52% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.21% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.36% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.77% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.68% | 94.33% |
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.
| Tabernaemontana citrifolia |
| PubChem | 3083798 |
| LOTUS | LTS0274488 |
| wikiData | Q82934025 |