methyl (1S,15R,17S,18S)-17-(1-hydroxyethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
| Internal ID | a088f6a8-f6b1-44f6-a397-af092944ac90 |
| Taxonomy | Alkaloids and derivatives > Ibogan-type alkaloids |
| IUPAC Name | methyl (1S,15R,17S,18S)-17-(1-hydroxyethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30N2O5/c1-12(26)15-7-13-10-23(22(27)30-4)20-14(5-6-25(11-13)21(15)23)16-8-18(28-2)19(29-3)9-17(16)24-20/h8-9,12-13,15,21,24,26H,5-7,10-11H2,1-4H3/t12?,13-,15-,21+,23-/m1/s1 |
| InChI Key | RCDVEJINCXVEQG-TYGQSFBXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H30N2O5 |
| Molecular Weight | 414.50 g/mol |
| Exact Mass | 414.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 84.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of methyl (1S,15R,17S,18S)-17-(1-hydroxyethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b3e4e6f0-8582-11ee-bb00-c54c60bd547b.jpg "2D Structure of methyl (1S,15R,17S,18S)-17-(1-hydroxyethyl)-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-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 | 99.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.79% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.68% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.32% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.87% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.58% | 98.95% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.81% | 92.98% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.33% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.03% | 91.19% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.97% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.98% | 90.00% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 87.53% | 98.44% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.49% | 98.59% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.91% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.48% | 92.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.99% | 83.82% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.87% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.09% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.83% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.40% | 93.03% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.26% | 95.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.26% | 95.89% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.86% | 97.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.71% | 97.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.66% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.42% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.86% | 89.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.13% | 94.78% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.02% | 90.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.99% | 94.08% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.36% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.21% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.16% | 92.62% |
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 pachysiphon |
| PubChem | 138114025 |
| LOTUS | LTS0039462 |
| wikiData | Q105233561 |