(6aS)-11-[2-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
| Internal ID | 2d70b1ee-abeb-44e1-bab4-0be012b9a38b |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-11-[2-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC5=CC(=C(C=C5C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C41H48N2O8/c1-42-14-12-23-18-32(45-4)34(47-6)21-27(23)28(42)17-26-20-33(46-5)35(48-7)22-31(26)51-41-30(44-3)11-10-24-16-29-37-25(13-15-43(29)2)19-36(49-8)40(50-9)39(37)38(24)41/h10-11,18-22,28-29H,12-17H2,1-9H3/t28-,29+/m1/s1 |
| InChI Key | CGBZTBVMBAQHHC-WDYNHAJCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H48N2O8 |
| Molecular Weight | 696.80 g/mol |
| Exact Mass | 696.34106649 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of (6aS)-11-[2-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline](https://plantaedb.com/storage/docs/compounds/2023/11/05aa3fb0-85e5-11ee-9d81-ff11908bf718.jpg "2D Structure of (6aS)-11-[2-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline")
| 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 | 99.29% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.02% | 93.99% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.44% | 96.76% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.88% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.73% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.54% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.83% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.51% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.71% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.58% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.89% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.87% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.73% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.40% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.59% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.49% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.88% | 96.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.97% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.81% | 89.50% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 83.75% | 91.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.63% | 97.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.47% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.45% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.05% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.04% | 91.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.14% | 88.48% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.10% | 94.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.54% | 95.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.23% | 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 dasycarpum |
| PubChem | 163015075 |
| LOTUS | LTS0152133 |
| wikiData | Q104957464 |