(12R)-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),9,16(23),17-hexaene
| Internal ID | d610dabd-beb1-439b-9bc7-1e4eb5be7ab9 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-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),9,16(23),17-hexaene |
| SMILES (Canonical) | COC1=C2C(=C3C4=CC5=C(C=C4CC6C3=C1CCN6)OCO5)OCO2 |
| SMILES (Isomeric) | COC1=C2C(=C3C4=CC5=C(C=C4C[C@@H]6C3=C1CCN6)OCO5)OCO2 |
| InChI | InChI=1S/C19H17NO5/c1-21-17-10-2-3-20-12-4-9-5-13-14(23-7-22-13)6-11(9)16(15(10)12)18-19(17)25-8-24-18/h5-6,12,20H,2-4,7-8H2,1H3/t12-/m1/s1 |
| InChI Key | BLQMKAOCFLGRCD-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.30 g/mol |
| Exact Mass | 339.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 58.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (12R)-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),9,16(23),17-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/a3835ef0-878b-11ee-a7f3-c711f3eb0beb.jpg "2D Structure of (12R)-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),9,16(23),17-hexaene")
| 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 | 98.38% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.44% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.82% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.91% | 93.40% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 91.41% | 95.55% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.72% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.58% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.01% | 82.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.99% | 93.99% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.63% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.62% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.17% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.88% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.81% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.35% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.34% | 96.76% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.30% | 88.48% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.20% | 95.53% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.19% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.62% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.32% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.41% | 89.00% |
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 |
| PubChem | 162959158 |
| LOTUS | LTS0044490 |
| wikiData | Q104938098 |