6-[(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methyl]-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
| Internal ID | d0ae411f-a38d-4a7a-a00b-f38c4165504f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 6-[(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methyl]-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
| SMILES (Canonical) | COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3CN5CCC6=CC(=C(C7=C6C5CC8=C7C(=C(C=C8)OC)O)OC)OC)OC)OC)C=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3CN5CCC6=CC(=C(C7=C6C5CC8=C7C(=C(C=C8)OC)O)OC)OC)OC)OC)C=C1)O |
| InChI | InChI=1S/C39H42N2O8/c1-44-26-9-7-20-15-24-30-22(17-28(46-3)38(48-5)34(30)32(20)36(26)42)11-13-40(24)19-41-14-12-23-18-29(47-4)39(49-6)35-31(23)25(41)16-21-8-10-27(45-2)37(43)33(21)35/h7-10,17-18,24-25,42-43H,11-16,19H2,1-6H3 |
| InChI Key | RMYIJZYACLEPLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H42N2O8 |
| Molecular Weight | 666.80 g/mol |
| Exact Mass | 666.29411630 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 6-[(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methyl]-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/05e799a0-82c1-11ee-b7f4-fd49c0b537da.jpg "2D Structure of 6-[(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)methyl]-1,2,10-trimethoxy-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 | 99.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.93% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.58% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.78% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.55% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.78% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.68% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.58% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.38% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.28% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.78% | 85.14% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.40% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.37% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.31% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.52% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.03% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.09% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.53% | 91.00% |
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.
| Aristolochia lagesiana |
| PubChem | 162950674 |
| LOTUS | LTS0269663 |
| wikiData | Q105241151 |