(1S,3S)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
| Internal ID | 145ac2ed-151e-4d2a-97cd-420cea7a9f4b |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1S,3S)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
| SMILES (Isomeric) | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)O)O)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
| InChI | InChI=1S/C23H25NO4/c1-11-7-15-14(5-6-17(25)23(15)20(8-11)28-4)22-16-9-12(2)24-13(3)21(16)18(26)10-19(22)27/h5-8,10,12-13,24-27H,9H2,1-4H3/t12-,13-/m0/s1 |
| InChI Key | JOXWHCNNDTWJPX-STQMWFEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25NO4 |
| Molecular Weight | 379.40 g/mol |
| Exact Mass | 379.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.07% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.29% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.72% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.28% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.76% | 98.75% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.74% | 97.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.95% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.95% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.93% | 99.15% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.87% | 88.48% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.45% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.21% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.57% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.83% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.56% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.27% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.38% | 93.31% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.25% | 97.53% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.84% | 90.24% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.57% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.43% | 93.99% |
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 korupensis |
| PubChem | 101060354 |
| LOTUS | LTS0134099 |
| wikiData | Q105132583 |