2,3-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
| Internal ID | 112b11ca-ad15-4664-b091-0e7f77079d30 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 2,3-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC=CC=C4C3=C(C(=C2OC)OC)O |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC=CC=C4C3=C(C(=C2OC)OC)O |
| InChI | InChI=1S/C19H21NO3/c1-20-9-8-13-15-14(20)10-11-6-4-5-7-12(11)16(15)17(21)19(23-3)18(13)22-2/h4-7,14,21H,8-10H2,1-3H3 |
| InChI Key | BIIHCZLUQVXIQY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.40 g/mol |
| Exact Mass | 311.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 3.10 |
| N-methylisopiline |
| BDBM50202313 |
| 2,3-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol |
![2D Structure of 2,3-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol](https://plantaedb.com/storage/docs/compounds/2023/07/23-dimethoxy-6-methyl-566a7-tetrahydro-4h-dibenzodegquinolin-1-ol.jpg "2D Structure of 2,3-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-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 | 98.59% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 97.55% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.01% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.95% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.93% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.04% | 93.40% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.91% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.68% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.05% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.01% | 95.89% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.10% | 93.65% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.07% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.98% | 95.89% |
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.
| Artabotrys hexapetalus |
| Neostenanthera gabonensis |
| PubChem | 14140118 |
| NPASS | NPC118274 |
| ChEMBL | CHEMBL257747 |
| LOTUS | LTS0201916 |
| wikiData | Q104936507 |