(6R)-6-[[2,4-dimethoxy-3-[(4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
| Internal ID | 8921aef7-ec60-489f-85bf-1276e44cc5f6 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6R)-6-[[2,4-dimethoxy-3-[(4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline |
| SMILES (Canonical) | CN1CCC2=C3C(=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3 |
| SMILES (Isomeric) | CN1CCC2=C3C(=C(C=C2[C@H]1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3 |
| InChI | InChI=1S/C41H42N2O10/c1-43-14-12-23-24(18-31(46-4)39-37(23)51-20-52-39)28(43)15-22-9-10-29(44-2)40(35(22)48-6)53-41-32(47-5)19-25-26(36(41)49-7)17-27-33-21(11-13-42-27)16-30(45-3)38(50-8)34(25)33/h9-11,13,16,18-19,28H,12,14-15,17,20H2,1-8H3/t28-/m1/s1 |
| InChI Key | QDYWYMHZXBTSQO-MUUNZHRXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H42N2O10 |
| Molecular Weight | 722.80 g/mol |
| Exact Mass | 722.28394554 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (6R)-6-[[2,4-dimethoxy-3-[(4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/c677a970-8469-11ee-96ca-bfa7e600360a.jpg "2D Structure of (6R)-6-[[2,4-dimethoxy-3-[(4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline")
| 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 |
|---|---|---|---|---|
| CHEMBL5747 | Q92793 | CREB-binding protein | 99.47% | 95.12% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 99.37% | 95.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.23% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 95.22% | 95.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.21% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.21% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.19% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.90% | 96.77% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.33% | 89.62% |
| CHEMBL5903 | Q04771 | Activin receptor type-1 | 90.43% | 89.93% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 90.31% | 92.38% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.22% | 82.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.41% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.19% | 96.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 88.81% | 92.38% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.68% | 92.98% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.55% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.95% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.63% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.11% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.18% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.12% | 98.95% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 85.78% | 91.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.72% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.59% | 91.00% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 85.56% | 98.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.04% | 100.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.84% | 97.53% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.83% | 99.18% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 84.15% | 96.69% |
| CHEMBL4158 | P49327 | Fatty acid synthase | 83.82% | 82.50% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.66% | 94.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.71% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.52% | 93.10% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.51% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.47% | 97.09% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.94% | 90.95% |
| CHEMBL214 | P08908 | Serotonin 1a (5-HT1a) receptor | 80.68% | 92.83% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.29% | 96.67% |
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.
| Thalictrum przewalskii |
| PubChem | 162999178 |
| LOTUS | LTS0091138 |
| wikiData | Q105219051 |