Hernagine
| Internal ID | 494f6104-ab12-4948-b6b9-8becae01beb0 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aR)-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=C2C(=C(C=C4)O)OC)NCCC3=C1)OC |
| SMILES (Isomeric) | COC1=C(C2=C3[C@@H](CC4=C2C(=C(C=C4)O)OC)NCCC3=C1)OC |
| InChI | InChI=1S/C19H21NO4/c1-22-14-9-11-6-7-20-12-8-10-4-5-13(21)18(23-2)16(10)17(15(11)12)19(14)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m1/s1 |
| InChI Key | MULATNABYLUECQ-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 60.00 Ų |
| XlogP | 2.60 |
| 74133-19-0 |
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.66% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.78% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.77% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.09% | 91.79% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.41% | 95.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.07% | 92.68% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.65% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.50% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.12% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.05% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.63% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.50% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.21% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.77% | 91.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.32% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.57% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.11% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.88% | 96.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.64% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.97% | 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.
| Glaucium fimbrilligerum |
| Lindera myrrha |
| PubChem | 133556360 |
| LOTUS | LTS0219867 |
| wikiData | Q104402639 |