8-O-Methyldioncophyllinol B
| Internal ID | feacfb13-5e7b-4897-a4cb-2ed7943193cc |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1R,3R,4R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-ol |
| SMILES (Canonical) | CC1C(C2=C(C(N1)C)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C=C4OC)C)O)OC)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H](C2=C([C@H](N1)C)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C=C4OC)C)O)OC)O |
| InChI | InChI=1S/C24H27NO4/c1-12-10-15-6-7-16(23(27)21(15)19(11-12)28-4)17-8-9-18-20(24(17)29-5)13(2)25-14(3)22(18)26/h6-11,13-14,22,25-27H,1-5H3/t13-,14-,22+/m1/s1 |
| InChI Key | ZOHFADSZDMVMQC-SOHPYSCWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 3.90 |
| (1R,3R,4R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.32% | 98.95% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.27% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.47% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.15% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.67% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.01% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.72% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.37% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.13% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.59% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.31% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.30% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.60% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.86% | 93.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.04% | 91.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.98% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.78% | 93.31% |
| CHEMBL5903 | Q04771 | Activin receptor type-1 | 80.27% | 89.93% |
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.
| Triphyophyllum peltatum |
| PubChem | 10715588 |
| LOTUS | LTS0275603 |
| wikiData | Q105380470 |