(1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | 115d38ae-0074-47fc-a5fc-9294f7b9cd93 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C40H46N2O8/c1-41-11-9-22-15-30(43)32(44-3)19-26(22)28(41)14-25-18-33(45-4)35(47-6)21-31(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(48-7)40(49-8)39(38)27(24)20-34(36)46-5/h15-21,28-29,43H,9-14H2,1-8H3/t28-,29-/m0/s1 |
| InChI Key | GFMQFVSTNFHREM-VMPREFPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H46N2O8 |
| Molecular Weight | 682.80 g/mol |
| Exact Mass | 682.32541643 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7ecbb7e0-863c-11ee-9e4d-b3a742aa5c25.jpg "2D Structure of (1S)-1-[[2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-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 | 99.49% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 98.60% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.12% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.98% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.73% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.52% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.77% | 89.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 91.96% | 88.48% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.92% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.88% | 96.76% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.21% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.63% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.43% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.01% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.85% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.68% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.35% | 86.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.11% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.59% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.50% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.04% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.52% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.34% | 95.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.02% | 93.03% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.03% | 95.34% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 81.64% | 95.70% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 89.50% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.17% | 92.38% |
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 revolutum |
| PubChem | 102278103 |
| LOTUS | LTS0179683 |
| wikiData | Q105007642 |