Cassamedine
| Internal ID | 44738b4a-ddf6-4370-870f-1a848d9b786c |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 17-methoxy-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(22),2,4(8),9,12,14,16(23),17-octaen-11-one |
| SMILES (Canonical) | COC1=C2C(=C3C4=CC5=C(C=C4C(=O)C6=NC=CC1=C36)OCO5)OCO2 |
| SMILES (Isomeric) | COC1=C2C(=C3C4=CC5=C(C=C4C(=O)C6=NC=CC1=C36)OCO5)OCO2 |
| InChI | InChI=1S/C19H11NO6/c1-22-17-8-2-3-20-15-13(8)14(18-19(17)26-7-25-18)9-4-11-12(24-6-23-11)5-10(9)16(15)21/h2-5H,6-7H2,1H3 |
| InChI Key | DQFLZSJFIQYSGC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H11NO6 |
| Molecular Weight | 349.30 g/mol |
| Exact Mass | 349.05863707 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 3.20 |
| 16408-75-6 |
| AKOS040763149 |
| 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 | 99.07% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.91% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.79% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.86% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.14% | 94.45% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.95% | 96.67% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.93% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.90% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.58% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.89% | 82.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.36% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.39% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.91% | 83.82% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.85% | 94.80% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.62% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.26% | 99.23% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.17% | 95.12% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.78% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.34% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.27% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.88% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.74% | 85.30% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.63% | 98.75% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.32% | 96.69% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.16% | 96.09% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 81.06% | 85.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.01% | 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.
| Annona purpurea |
| Cassytha filiformis |
| Siparuna guianensis |
| PubChem | 12302501 |
| LOTUS | LTS0078334 |
| wikiData | Q104986914 |