(6aS)-8-[5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
| Internal ID | cd27518b-dfe3-4119-9e17-01c1e53fa355 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-8-[5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H44N2O8/c1-40-12-10-22-16-31(45-4)28(42)19-24(22)26(40)14-21-8-9-29(44-3)32(15-21)49-30-20-33(46-5)38(43)36-25(30)18-27-35-23(11-13-41(27)2)17-34(47-6)39(48-7)37(35)36/h8-9,15-17,19-20,26-27,42-43H,10-14,18H2,1-7H3/t26-,27-/m0/s1 |
| InChI Key | IIDHWQHQMMLAFC-SVBPBHIXSA-N |
| Popularity | 2 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 (6aS)-8-[5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/38685060-854c-11ee-8813-d14730169c26.jpg "2D Structure of (6aS)-8-[5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-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 | 99.56% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.26% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.30% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.92% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.07% | 93.99% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 94.88% | 96.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.13% | 91.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 94.01% | 95.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.77% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.32% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.59% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.40% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.18% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.77% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.52% | 99.17% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.61% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.11% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.88% | 92.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.07% | 88.48% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.80% | 91.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.34% | 95.78% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.79% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.27% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.72% | 92.68% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 82.33% | 94.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.20% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.94% | 89.50% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.79% | 90.95% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.34% | 97.50% |
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 urbaini |
| PubChem | 21581049 |
| LOTUS | LTS0078163 |
| wikiData | Q105113417 |