Laurifoline
| Internal ID | d1741e0c-c6cc-4d81-954d-4b331c479ed6 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,9-diol |
| SMILES (Canonical) | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C |
| SMILES (Isomeric) | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC)C |
| InChI | InChI=1S/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1 |
| InChI Key | ZDVDVLRYVOZWMP-UHFFFAOYSA-O |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24NO4+ |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.17053325 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 2.70 |
| 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)- |
| DTXSID00992976 |
| HAA22461 |
| B0005-189791 |
| 1,9-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium |
| 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 | 98.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.86% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.71% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.45% | 93.99% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 91.41% | 88.48% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.28% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.79% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.64% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.29% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.29% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.92% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.60% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.59% | 98.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.22% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.11% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.94% | 86.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.37% | 95.56% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.52% | 98.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.97% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.86% | 93.03% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.75% | 96.86% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.16% | 89.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.13% | 95.12% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.21% | 96.00% |
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.
| Hypserpa nitida |
| Paratinospora sagittata |
| PubChem | 37834 |
| LOTUS | LTS0217613 |
| wikiData | Q72487243 |