(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
Internal ID | 9afbea66-4544-4ac3-a4bb-3d5139d90a4a |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
IUPAC Name | (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol |
SMILES (Canonical) | COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3CCN2)O)OC)OC |
SMILES (Isomeric) | COC1=CC=C(C=C1)C[C@H]2C3=CC(=C(C(=C3CCN2)O)OC)OC |
InChI | InChI=1S/C19H23NO4/c1-22-13-6-4-12(5-7-13)10-16-15-11-17(23-2)19(24-3)18(21)14(15)8-9-20-16/h4-7,11,16,20-21H,8-10H2,1-3H3/t16-/m0/s1 |
InChI Key | SQMUQBYKHDACDD-INIZCTEOSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H23NO4 |
Molecular Weight | 329.40 g/mol |
Exact Mass | 329.16270821 g/mol |
Topological Polar Surface Area (TPSA) | 60.00 Ų |
XlogP | 2.90 |
There are no found synonyms. |
![2D Structure of (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol 2D Structure of (1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s-67-dimethoxy-1-4-methoxyphenylmethyl-1234-tetrahydroisoquinolin-5-ol.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 | 99.09% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.28% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.26% | 97.09% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.76% | 93.99% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.06% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.76% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.46% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.47% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 89.41% | 98.75% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.39% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 88.16% | 98.95% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.23% | 92.68% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.14% | 95.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.69% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.36% | 99.15% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.45% | 95.89% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.40% | 88.48% |
CHEMBL3820 | P35557 | Hexokinase type IV | 80.60% | 91.96% |
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.
Xylopia parviflora |
PubChem | 162872722 |
LOTUS | LTS0166459 |
wikiData | Q105258184 |