Ocopodine, Dehydro derivative of
| Internal ID | e0feb14a-9b3a-4955-9ccd-6a5b58e33d5d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 15,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H21NO5/c1-22-6-5-11-7-16-20(27-10-26-16)18-12-9-15(23-2)21(25-4)19(24-3)13(12)8-14(22)17(11)18/h7-9H,5-6,10H2,1-4H3 |
| InChI Key | XAHLAKBYAFHLML-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21NO5 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 4.30 |
| NSC-785155 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.77% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.64% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.07% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.99% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.42% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.79% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.51% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.66% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.26% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.07% | 95.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.84% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.32% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.20% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.72% | 91.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.64% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.57% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.00% | 90.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.88% | 93.65% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 81.87% | 94.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.30% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.69% | 89.50% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.37% | 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.
| Ocotea macropoda |
| PubChem | 15558832 |
| LOTUS | LTS0098450 |
| wikiData | Q105323930 |