2-[5-hydroxy-2-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | b76ce297-6594-4871-a954-bfe50908135c |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
IUPAC Name | 2-[5-hydroxy-2-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)OC)OC)O |
SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)OC)OC)O |
InChI | InChI=1S/C25H33NO10/c1-26-5-4-12-7-16(28)20(34-3)9-14(12)15(26)6-13-8-19(33-2)17(29)10-18(13)35-25-24(32)23(31)22(30)21(11-27)36-25/h7-10,15,21-25,27-32H,4-6,11H2,1-3H3 |
InChI Key | PLIJOIRCBAAYMI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H33NO10 |
Molecular Weight | 507.50 g/mol |
Exact Mass | 507.21044625 g/mol |
Topological Polar Surface Area (TPSA) | 162.00 Ų |
XlogP | 0.90 |
There are no found synonyms. |
![2D Structure of 2-[5-hydroxy-2-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2D Structure of 2-[5-hydroxy-2-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/28c562c0-85e6-11ee-a189-8beb172414bd.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.39% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.53% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.05% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.88% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.61% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.01% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.30% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.63% | 86.33% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.50% | 92.94% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.18% | 99.17% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.84% | 89.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.51% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.23% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.88% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.31% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.21% | 89.00% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.24% | 91.00% |
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.
Corydalis taliensis |
PubChem | 162981903 |
LOTUS | LTS0224536 |
wikiData | Q105210946 |