Dioncophylline B
| Internal ID | a78b8a3b-e15b-45f8-aa09-47db0b58e84d |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1R,3R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
| SMILES (Canonical) | CC1CC2=C(C(N1)C)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C=C4OC)C)O)O |
| SMILES (Isomeric) | C[C@@H]1CC2=C([C@H](N1)C)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C=C4OC)C)O)O |
| InChI | InChI=1S/C23H25NO3/c1-12-9-15-5-7-18(23(26)21(15)19(10-12)27-4)17-8-6-16-11-13(2)24-14(3)20(16)22(17)25/h5-10,13-14,24-26H,11H2,1-4H3/t13-,14-/m1/s1 |
| InChI Key | UOMMAZXPQFOUSU-ZIAGYGMSSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C23H25NO3 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 61.70 Ų |
| XlogP | 4.70 |
| 140367-82-4 |
| Dioncophyllin b |
| (1R,3R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
| (-)-Dioncophylline B |
| CHEMBL3827456 |
| CHEBI:66273 |
| DTXSID60930773 |
| Q27134814 |
| 7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
| 8-Isoquinolinol, 1,2,3,4-tetrahydro-7-(1-hydroxy-8-methoxy-6-methyl-2-naphthalenyl)-1,3-dimethyl-, stereoisomer |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.81% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.77% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.07% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.32% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.84% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.57% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.57% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.66% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.67% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.80% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.30% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.94% | 97.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.41% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.79% | 97.21% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.03% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.33% | 90.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.12% | 96.39% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.88% | 93.31% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.77% | 96.67% |
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.
| Ancistrocladus barteri |
| Triphyophyllum peltatum |
| PubChem | 178558 |
| LOTUS | LTS0075715 |
| wikiData | Q27134814 |