12-Ethylidene-10-(hydroxymethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-17-ol
| Internal ID | d7f39dac-9259-4cd6-9bcf-d173adb37c03 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | 12-ethylidene-10-(hydroxymethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-17-ol |
| SMILES (Canonical) | CC=C1CN2CCC34C2(CC1C(=CO)C3NC5=CC=CC=C45)O |
| SMILES (Isomeric) | CC=C1CN2CCC34C2(CC1C(=CO)C3NC5=CC=CC=C45)O |
| InChI | InChI=1S/C19H22N2O2/c1-2-12-10-21-8-7-18-15-5-3-4-6-16(15)20-17(18)14(11-22)13(12)9-19(18,21)23/h2-6,11,13,17,20,22-23H,7-10H2,1H3 |
| InChI Key | CMDBBCMUPZOZNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O2 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 55.70 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 12-Ethylidene-10-(hydroxymethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-17-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c8b4b8d0-869c-11ee-a306-f74247d57e8a.jpg "2D Structure of 12-Ethylidene-10-(hydroxymethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-17-ol")
| 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 | 94.74% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.70% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.51% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.32% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.32% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.32% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.77% | 90.00% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 82.67% | 96.06% |
| CHEMBL5028 | O14672 | ADAM10 | 82.62% | 97.50% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.90% | 88.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.06% | 96.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.97% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.95% | 97.09% |
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.
| Strychnos pseudoquina |
| PubChem | 73023471 |
| LOTUS | LTS0221753 |
| wikiData | Q104964371 |