(3R)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one
Internal ID | d2e23b8f-2e2d-465a-ad52-d3a7b6ae77b3 |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
IUPAC Name | (3R)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one |
SMILES (Canonical) | CC1CC2=CC(=O)C(=C(C2=C(N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
SMILES (Isomeric) | C[C@@H]1CC2=CC(=O)C(=C(C2=C(N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
InChI | InChI=1S/C24H25NO4/c1-12-8-17-16(6-7-18(26)22(17)20(9-12)28-4)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13,25-26H,10H2,1-5H3/t13-/m1/s1 |
InChI Key | JIOXIGKCFJXZJX-CYBMUJFWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H25NO4 |
Molecular Weight | 391.50 g/mol |
Exact Mass | 391.17835828 g/mol |
Topological Polar Surface Area (TPSA) | 67.80 Ų |
XlogP | 3.80 |
There are no found synonyms. |
![2D Structure of (3R)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one 2D Structure of (3R)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/24380e90-874e-11ee-a16e-3df654d23434.jpg)
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 | 99.23% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.31% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.21% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.20% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.79% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.02% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.51% | 92.94% |
CHEMBL2535 | P11166 | Glucose transporter | 93.47% | 98.75% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.73% | 99.15% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.89% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.05% | 94.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.99% | 91.19% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.54% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.37% | 95.89% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.17% | 96.67% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.47% | 93.40% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.83% | 99.17% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.08% | 97.31% |
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.
Ancistrocladus korupensis |
PubChem | 5469776 |
LOTUS | LTS0216123 |
wikiData | Q105129245 |