[4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methanol
| Internal ID | 879b5d78-37f9-40b7-85f2-b4132d160ef8 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | [4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methanol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC |
| InChI | InChI=1S/C29H33NO7/c1-30-10-9-17-12-24(35-5)29(37-21-14-23(34-4)22(33-3)13-18(21)15-31)27-25(17)19(30)11-16-7-8-20(32-2)28(36-6)26(16)27/h7-8,12-14,19,31H,9-11,15H2,1-6H3 |
| InChI Key | FSJKQGGXOQBDIY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H33NO7 |
| Molecular Weight | 507.60 g/mol |
| Exact Mass | 507.22570239 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/b1bd7c40-86f0-11ee-8670-efc9f39840a5.jpg "2D Structure of [4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methanol")
| 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 | 99.54% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 99.19% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.64% | 95.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.92% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.71% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.72% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.53% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.33% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.73% | 91.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.46% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.34% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.27% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.89% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.43% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.19% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.09% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.72% | 85.14% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.69% | 90.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.95% | 95.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.76% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.24% | 91.03% |
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 | 85210193 |
| LOTUS | LTS0189912 |
| wikiData | Q105000674 |