17,18-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
| Internal ID | 1725513d-426d-48bc-a93e-ca9200e7b613 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 17,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene |
| SMILES (Canonical) | COC1=C(C2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1)OC |
| SMILES (Isomeric) | COC1=C(C2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1)OC |
| InChI | InChI=1S/C19H19NO4/c1-21-13-4-3-10-7-12-15-11(5-6-20-12)8-14-19(24-9-23-14)17(15)16(10)18(13)22-2/h3-4,8,12,20H,5-7,9H2,1-2H3 |
| InChI Key | YYRMPJXNBYSDCA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 17,18-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/7e175750-854d-11ee-8273-77e68e1586e2.jpg "2D Structure of 17,18-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.20% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.00% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.31% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.43% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.54% | 96.77% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.34% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.37% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.04% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.02% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.15% | 82.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.67% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.67% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.61% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.25% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.04% | 95.78% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.80% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.24% | 80.96% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.65% | 88.48% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.32% | 96.86% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.81% | 94.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.54% | 89.50% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 82.51% | 95.55% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.40% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.87% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.05% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.23% | 83.82% |
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.
| Litsea nitida |
| PubChem | 163023626 |
| LOTUS | LTS0214628 |
| wikiData | Q105368875 |