(1R,3S)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
| Internal ID | 56b62fa4-81af-42ba-adc7-d71ece0cbfbd |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1R,3S)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1C)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](N1C)C)O)O)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
| InChI | InChI=1S/C24H27NO4/c1-12-8-16-15(6-7-18(26)24(16)21(9-12)29-5)23-17-10-13(2)25(4)14(3)22(17)19(27)11-20(23)28/h6-9,11,13-14,26-28H,10H2,1-5H3/t13-,14+/m0/s1 |
| InChI Key | GWJJRDKEDFSIDL-UONOGXRCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 73.20 Ų |
| XlogP | 4.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.65% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.42% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.86% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.28% | 89.62% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.50% | 97.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.36% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.67% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.17% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.78% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.54% | 91.79% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.42% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.76% | 92.94% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.67% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.58% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.68% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.52% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.14% | 93.40% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.56% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.70% | 93.31% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.11% | 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 korupensis |
| PubChem | 10069155 |
| LOTUS | LTS0249294 |
| wikiData | Q105022445 |