O-Methylcassythine
| Internal ID | 7826ee0e-cf35-4a52-9dc6-366b22e35262 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H21NO5/c1-22-14-7-10-6-13-16-11(4-5-21-13)18(24-3)20-19(25-9-26-20)17(16)12(10)8-15(14)23-2/h7-8,13,21H,4-6,9H2,1-3H3/t13-/m0/s1 |
| InChI Key | YYPGFVKLIUMIEL-ZDUSSCGKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 58.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
| 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 | 96.03% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.71% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.37% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.53% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.06% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.14% | 92.94% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.90% | 95.12% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.34% | 82.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.21% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.49% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.31% | 92.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.19% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.94% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.60% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.78% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.58% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.44% | 97.25% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.94% | 88.48% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.98% | 95.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.33% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.07% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.89% | 96.21% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.73% | 91.00% |
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.
| Cassytha filiformis |
| Ocotea acutifolia |
| Thalictrum flavum |
| PubChem | 6352219 |
| LOTUS | LTS0211081 |
| wikiData | Q105368830 |