(6S)-6-[[5-[[(6aR)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-2,4-dimethoxyphenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
Internal ID | 95ff6a5f-3b36-4d2d-878e-eef908e382ec |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | (6S)-6-[[5-[[(6aR)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-2,4-dimethoxyphenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline |
SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C(C=C(C(=C5)CC6C7=CC(=C8C(=C7CCN6C)OCO8)OC)OC)OC |
SMILES (Isomeric) | CN1CCC2=C3[C@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C(C=C(C(=C5)C[C@H]6C7=CC(=C8C(=C7CCN6C)OCO8)OC)OC)OC |
InChI | InChI=1S/C42H48N2O10/c1-43-12-10-24-27(19-35(48-6)40-39(24)52-21-53-40)28(43)15-23-17-34(32(47-5)20-30(23)45-3)54-33-16-22-14-29-36-25(11-13-44(29)2)38(49-7)42(51-9)41(50-8)37(36)26(22)18-31(33)46-4/h16-20,28-29H,10-15,21H2,1-9H3/t28-,29+/m0/s1 |
InChI Key | QLUTYCPBZVWXAF-URLMMPGGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C42H48N2O10 |
Molecular Weight | 740.80 g/mol |
Exact Mass | 740.33089573 g/mol |
Topological Polar Surface Area (TPSA) | 98.80 Ų |
XlogP | 6.50 |
There are no found synonyms. |
![2D Structure of (6S)-6-[[5-[[(6aR)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-2,4-dimethoxyphenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline 2D Structure of (6S)-6-[[5-[[(6aR)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-2,4-dimethoxyphenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/dd745ef0-85a5-11ee-9905-adc75de73a74.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 | 99.12% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.14% | 85.14% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.94% | 95.17% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.61% | 96.77% |
CHEMBL5747 | Q92793 | CREB-binding protein | 94.28% | 95.12% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.21% | 89.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.10% | 86.33% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.83% | 91.79% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 92.01% | 95.62% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.29% | 91.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
CHEMBL2581 | P07339 | Cathepsin D | 90.87% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.47% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.23% | 95.89% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.96% | 90.95% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 88.18% | 92.38% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.06% | 89.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.14% | 95.89% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.95% | 96.86% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.54% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.74% | 91.11% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.48% | 96.09% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.97% | 82.67% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.38% | 91.03% |
CHEMBL2535 | P11166 | Glucose transporter | 83.21% | 98.75% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.10% | 88.48% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.87% | 95.56% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.70% | 95.78% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.43% | 89.00% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 82.27% | 96.76% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.20% | 82.38% |
CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.90% | 83.14% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.51% | 92.94% |
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 | 163044269 |
LOTUS | LTS0103544 |
wikiData | Q105223810 |