Cassyfiline
| Internal ID | fc0a8b29-0c3e-466f-a078-32bd2670915e |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol |
| SMILES (Canonical) | COC1=C(C=C2CC3C4=C(CCN3)C(=C5C(=C4C2=C1)OCO5)OC)O |
| SMILES (Isomeric) | COC1=C(C=C2C[C@H]3C4=C(CCN3)C(=C5C(=C4C2=C1)OCO5)OC)O |
| InChI | InChI=1S/C19H19NO5/c1-22-14-7-11-9(6-13(14)21)5-12-15-10(3-4-20-12)17(23-2)19-18(16(11)15)24-8-25-19/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1 |
| InChI Key | FZXIOJQNDYKPCE-LBPRGKRZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H19NO5 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 69.20 Ų |
| XlogP | 2.40 |
| 4030-51-7 |
| Cassythine |
| CHEBI:3458 |
| (12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-16-ol |
| CHEMBL254549 |
| C09380 |
| DTXSID00331765 |
| HY-N3547 |
| AKOS032948904 |
| FS-9422 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.26% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.52% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.47% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.29% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.53% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.92% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.71% | 92.94% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.52% | 82.67% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.21% | 88.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.84% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.40% | 96.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.30% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.96% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.05% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.89% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.62% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.57% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.90% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.07% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.40% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.96% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.04% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.19% | 99.17% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.91% | 95.53% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.58% | 95.12% |
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 |
| PubChem | 442190 |
| LOTUS | LTS0236351 |
| wikiData | Q27106090 |