8-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,9-diol
Internal ID | db30b6fe-04cf-4054-8ef0-467ac3dbac2f |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | 8-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,9-diol |
SMILES (Canonical) | CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2O)OC)OC)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)OC)OC |
SMILES (Isomeric) | CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2O)OC)OC)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)OC)OC |
InChI | InChI=1S/C39H44N2O8/c1-40-14-12-22-17-30(44-3)31(45-4)19-25(22)28(40)16-21-8-10-23(11-9-21)49-37-27-18-29-33-24(13-15-41(29)2)35(42)39(48-7)38(47-6)34(33)26(27)20-32(46-5)36(37)43/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3 |
InChI Key | MNKMMHRKOKPHFM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H44N2O8 |
Molecular Weight | 668.80 g/mol |
Exact Mass | 668.30976637 g/mol |
Topological Polar Surface Area (TPSA) | 102.00 Ų |
XlogP | 6.00 |
There are no found synonyms. |
![2D Structure of 8-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,9-diol 2D Structure of 8-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ce2d7cd0-81d0-11ee-bf51-63ab46f4d50f.jpg)
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 | 99.49% | 96.09% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 98.28% | 91.79% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 97.95% | 95.62% |
CHEMBL2581 | P07339 | Cathepsin D | 97.45% | 98.95% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 96.82% | 95.89% |
CHEMBL5747 | Q92793 | CREB-binding protein | 96.45% | 95.12% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.85% | 85.14% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.67% | 91.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
CHEMBL4208 | P20618 | Proteasome component C5 | 95.53% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 94.96% | 98.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.86% | 95.89% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 94.84% | 95.34% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.67% | 92.68% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.44% | 91.03% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.36% | 99.17% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 91.68% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.57% | 83.82% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.91% | 94.00% |
CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 89.36% | 94.05% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.70% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.48% | 92.62% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.99% | 92.94% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.96% | 95.53% |
CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 86.72% | 83.14% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.83% | 97.53% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.83% | 95.17% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.28% | 88.48% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 84.99% | 96.76% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.93% | 90.95% |
CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 84.68% | 95.70% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.23% | 95.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.80% | 94.45% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.75% | 82.38% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 81.74% | 95.52% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.60% | 93.40% |
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 faberi |
PubChem | 56662623 |
LOTUS | LTS0222042 |
wikiData | Q105168423 |