(1R,16Z)-16-(2-hydroxyethylidene)-2-methylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraen-15-one
| Internal ID | f75df71d-4803-49a6-b6ac-f42510a61910 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (1R,16Z)-16-(2-hydroxyethylidene)-2-methylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraen-15-one |
| SMILES (Canonical) | C=C1C2CCN(CCC3=C1NC4=CC=CC=C34)C(=O)C2=CCO |
| SMILES (Isomeric) | C=C1[C@H]\2CCN(CCC3=C1NC4=CC=CC=C34)C(=O)/C2=C\CO |
| InChI | InChI=1S/C19H20N2O2/c1-12-13-6-9-21(19(23)16(13)8-11-22)10-7-15-14-4-2-3-5-17(14)20-18(12)15/h2-5,8,13,20,22H,1,6-7,9-11H2/b16-8-/t13-/m1/s1 |
| InChI Key | RJIRPHLZZULVHZ-KHAFMBKQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H20N2O2 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 56.30 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,16Z)-16-(2-hydroxyethylidene)-2-methylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/0f9a2b40-858e-11ee-8172-ef1c309d4128.jpg "2D Structure of (1R,16Z)-16-(2-hydroxyethylidene)-2-methylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraen-15-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.96% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.22% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.86% | 93.99% |
| CHEMBL228 | P31645 | Serotonin transporter | 91.38% | 95.51% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.26% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.92% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.44% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.34% | 97.09% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 85.37% | 81.14% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.13% | 91.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.07% | 98.59% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.47% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.89% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.49% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.24% | 95.89% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.05% | 92.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.65% | 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.
| Kopsia arborea |
| PubChem | 163185628 |
| LOTUS | LTS0224089 |
| wikiData | Q105237524 |