Cassythicine
| Internal ID | 1f2f5ab4-84c3-485f-aa58-2397c855c270 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol |
| SMILES (Canonical) | CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)O)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)O)OCO3 |
| InChI | InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3 |
| InChI Key | MPWZJVCAMFAIGV-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 2.90 |
| C09389 |
| CHEMBL464528 |
| AC1L9CEZ |
| 1,2-methylenedioxy-9-hydroxy-10-methoxyaporphine |
| 9-Hydroxy-10-methoxy-1,2-methylenedioxyaporphine |
| 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 | 99.03% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.34% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.07% | 91.79% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 93.32% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.01% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.25% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.14% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.88% | 95.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.88% | 88.48% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 89.98% | 96.86% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.19% | 96.76% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.18% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.14% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.43% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.39% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.13% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.70% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.64% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.19% | 82.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.18% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.19% | 92.94% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.55% | 95.12% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.79% | 91.03% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.48% | 90.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.98% | 89.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.40% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.02% | 98.75% |
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.
| Beilschmiedia kunstleri |
| Cassytha filiformis |
| Illigera luzonensis |
| Laurus nobilis |
| Litsea lancifolia |
| Neolitsea acuminatissima |
| Neolitsea parvigemma |
| Neolitsea sericea |
| PubChem | 4440434 |
| LOTUS | LTS0229683 |
| wikiData | Q104666962 |