Methyl 12-(1-hydroxypropan-2-yl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
| Internal ID | 6279ca3f-bfa4-43f0-9bac-9a61b9281472 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | methyl 12-(1-hydroxypropan-2-yl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate |
| SMILES (Canonical) | CC(CO)C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC |
| SMILES (Isomeric) | CC(CO)C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC |
| InChI | InChI=1S/C21H26N2O3/c1-12(11-24)14-10-23-8-7-21-15-5-3-4-6-16(15)22-19(21)18(20(25)26-2)13(14)9-17(21)23/h3-6,12-14,17,22,24H,7-11H2,1-2H3 |
| InChI Key | XHXATGWZFXQDLS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of Methyl 12-(1-hydroxypropan-2-yl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/269ad510-856f-11ee-ad1b-656a82d2e648.jpg "2D Structure of Methyl 12-(1-hydroxypropan-2-yl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-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 | 99.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.24% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.70% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.03% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.84% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.77% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.82% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.37% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 86.18% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.15% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.53% | 93.03% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 84.68% | 91.65% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.49% | 83.82% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.37% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.21% | 95.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.44% | 93.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.96% | 100.00% |
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 angustiloba |
| Alstonia boonei |
| Alstonia congensis |
| Alstonia rostrata |
| PubChem | 5317005 |
| LOTUS | LTS0079793 |
| wikiData | Q105328333 |