1-[[2,4-dimethoxy-5-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
| Internal ID | ede552de-cdaf-44a0-81d3-e167024cdd6f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-[[2,4-dimethoxy-5-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H50N2O10/c1-43-13-11-24-27(20-35(49-6)40(51-8)38(24)45)28(43)16-23-18-34(32(48-5)21-30(23)46-3)54-33-17-22-15-29-36-25(12-14-44(29)2)39(50-7)42(53-10)41(52-9)37(36)26(22)19-31(33)47-4/h17-21,28-29,45H,11-16H2,1-10H3 |
| InChI Key | BSRLPROUTURBPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H50N2O10 |
| Molecular Weight | 742.90 g/mol |
| Exact Mass | 742.34654580 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 1-[[2,4-dimethoxy-5-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/57b95bc0-87a3-11ee-ad24-5511a8c89164.jpg "2D Structure of 1-[[2,4-dimethoxy-5-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol")
| 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 | 99.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.84% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.74% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 97.29% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.15% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.69% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.85% | 90.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 91.49% | 95.12% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.28% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.16% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.26% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.08% | 99.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.40% | 91.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.74% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.13% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.97% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.52% | 89.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.48% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.19% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.53% | 92.38% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.42% | 82.38% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 82.18% | 94.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.07% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.35% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.96% | 95.56% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.03% | 96.86% |
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 | 162889939 |
| LOTUS | LTS0233129 |
| wikiData | Q105140352 |