Dioncophyllin A
| Internal ID | 5f2d926e-7b29-43eb-b0bd-29b5cfbd2dc7 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
| SMILES (Canonical) | CC1CC2=C(C(N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O |
| SMILES (Isomeric) | CC1CC2=C(C(N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O |
| InChI | InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3 |
| InChI Key | MXIZZLBQRBAZEX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H27NO3 |
| Molecular Weight | 377.50 g/mol |
| Exact Mass | 377.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 50.70 Ų |
| XlogP | 5.00 |
| MXIZZLBQRBAZEX-UHFFFAOYSA-N |
| 7-(4,5-Dimethoxy-2-methyl-1-naphthyl)-1,3-dimethyl-1,2,3,4-tetrahydro-8-isoquinolinol # |
| 8-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,3R,7S)- |
| 8-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-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 | 99.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.95% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.33% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.61% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.40% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.23% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.03% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.92% | 89.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.67% | 93.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.98% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.30% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.89% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.70% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.58% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.24% | 95.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.17% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.11% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.72% | 94.03% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.10% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.80% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.20% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.62% | 96.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.49% | 90.24% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.09% | 91.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.90% | 96.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.52% | 97.21% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 80.34% | 95.52% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 80.08% | 89.76% |
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 | 3095 |
| LOTUS | LTS0106595 |
| wikiData | Q105174211 |