(6aS)-1,10-dimethoxy-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
| Internal ID | a7c768f0-7982-460b-8b95-87ec743cd02a |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-1,10-dimethoxy-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol |
| SMILES (Canonical) | COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3CC=C)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3CC=C)O)OC)O |
| InChI | InChI=1S/C21H23NO4/c1-4-6-22-7-5-12-9-17(24)21(26-3)20-14-11-18(25-2)16(23)10-13(14)8-15(22)19(12)20/h4,9-11,15,23-24H,1,5-8H2,2-3H3/t15-/m0/s1 |
| InChI Key | VPVWVQIRMWIEAF-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO4 |
| Molecular Weight | 353.40 g/mol |
| Exact Mass | 353.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (6aS)-1,10-dimethoxy-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6as-110-dimethoxy-6-prop-2-enyl-566a7-tetrahydro-4h-dibenzodegquinoline-29-diol.jpg "2D Structure of (6aS)-1,10-dimethoxy-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol")
| 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 | 99.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.16% | 95.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 92.74% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.15% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.69% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.36% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.77% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.04% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.82% | 89.62% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.79% | 98.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.01% | 91.03% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.36% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.67% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.60% | 89.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.33% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.59% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.48% | 91.49% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.98% | 96.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.56% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.31% | 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.
| Litsea lancifolia |
| PubChem | 23242733 |
| LOTUS | LTS0191626 |
| wikiData | Q105291050 |