[4-[5-(7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline-1-carbonyl)-2-methoxyphenoxy]phenyl]-(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methanone
| Internal ID | c4fc11a1-cd99-458a-8f3d-243e418aaf1f |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | [4-[5-(7-hydroxy-6-methoxy-3,4-dihydroisoquinoline-1-carbonyl)-2-methoxyphenoxy]phenyl]-(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methanone |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)O)OC)OC4=CC=C(C=C4)C(=O)C5=NCCC6=CC(=C(C=C65)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)O)OC)OC4=CC=C(C=C4)C(=O)C5=NCCC6=CC(=C(C=C65)O)OC |
| InChI | InChI=1S/C35H30N2O8/c1-42-28-9-6-22(35(41)33-25-18-27(39)30(44-3)15-21(25)11-13-37-33)16-31(28)45-23-7-4-19(5-8-23)34(40)32-24-17-26(38)29(43-2)14-20(24)10-12-36-32/h4-9,14-18,38-39H,10-13H2,1-3H3 |
| InChI Key | ILPJEQFAFCKFSL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H30N2O8 |
| Molecular Weight | 606.60 g/mol |
| Exact Mass | 606.20021592 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [4-[5-(7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline-1-carbonyl)-2-methoxyphenoxy]phenyl]-(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methanone](https://plantaedb.com/storage/docs/compounds/2023/11/3482a350-8625-11ee-a401-03c42fb1c3de.jpg "2D Structure of [4-[5-(7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline-1-carbonyl)-2-methoxyphenoxy]phenyl]-(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.66% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.87% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.40% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.86% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 92.81% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.56% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.99% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.37% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.03% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.01% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.03% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.79% | 92.94% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.28% | 91.43% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.58% | 91.79% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.33% | 91.07% |
| CHEMBL3194 | P02766 | Transthyretin | 81.79% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.25% | 91.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.06% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.39% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.21% | 93.31% |
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.
| Litsea lancifolia |
| PubChem | 162946292 |
| LOTUS | LTS0066545 |
| wikiData | Q105115360 |