Cathafiline
| Internal ID | 437d3e2f-171e-4b74-9387-4fbc01e78285 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | methyl (12S)-16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate |
| SMILES (Canonical) | COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3C(=O)OC)OCO5)O |
| SMILES (Isomeric) | COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3C(=O)OC)OCO5)O |
| InChI | InChI=1S/C20H19NO6/c1-24-15-8-12-11(6-14(15)22)5-13-17-10(3-4-21(13)20(23)25-2)7-16-19(18(12)17)27-9-26-16/h6-8,13,22H,3-5,9H2,1-2H3/t13-/m0/s1 |
| InChI Key | HOHBOJJFTZZXDF-ZDUSSCGKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H19NO6 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 2.80 |
| CHEMBL479709 |
| 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 | 99.14% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.26% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.58% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.33% | 96.76% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.98% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.19% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.07% | 93.40% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.85% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.89% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.11% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.95% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.66% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.51% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.79% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.61% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.26% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.73% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.05% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.81% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.45% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.43% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.29% | 91.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.08% | 89.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.96% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.11% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.08% | 97.47% |
| CHEMBL5028 | O14672 | ADAM10 | 81.83% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.30% | 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.
| Cassytha filiformis |
| PubChem | 44575456 |
| LOTUS | LTS0158764 |
| wikiData | Q104666963 |