1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinolin-7-ol
Internal ID | 399fbff5-c049-4ff4-8597-85db6cc40a6d |
Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyrrolidinylpyridines |
IUPAC Name | 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinolin-7-ol |
SMILES (Canonical) | CN1CCCC1C2=CN=C(C3=CC(=C(C=C32)OC)O)CC4=CC5=C(C=C4)OCO5 |
SMILES (Isomeric) | CN1CCC[C@H]1C2=CN=C(C3=CC(=C(C=C32)OC)O)CC4=CC5=C(C=C4)OCO5 |
InChI | InChI=1S/C23H24N2O4/c1-25-7-3-4-19(25)17-12-24-18(16-10-20(26)22(27-2)11-15(16)17)8-14-5-6-21-23(9-14)29-13-28-21/h5-6,9-12,19,26H,3-4,7-8,13H2,1-2H3/t19-/m0/s1 |
InChI Key | QTNXTKJLLAKSHD-IBGZPJMESA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H24N2O4 |
Molecular Weight | 392.40 g/mol |
Exact Mass | 392.17360725 g/mol |
Topological Polar Surface Area (TPSA) | 64.00 Ų |
XlogP | 3.80 |
There are no found synonyms. |
![2D Structure of 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinolin-7-ol 2D Structure of 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1-13-benzodioxol-5-ylmethyl-6-methoxy-4-2s-1-methylpyrrolidin-2-ylisoquinolin-7-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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.63% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.24% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.21% | 96.77% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.26% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 96.68% | 95.89% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 96.41% | 99.18% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.10% | 92.62% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.51% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.43% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.38% | 89.62% |
CHEMBL5747 | Q92793 | CREB-binding protein | 92.07% | 95.12% |
CHEMBL2535 | P11166 | Glucose transporter | 91.91% | 98.75% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.59% | 91.11% |
CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 90.82% | 95.39% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.81% | 86.33% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.75% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.81% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 88.33% | 87.50% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.85% | 93.40% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.72% | 90.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.40% | 92.94% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.44% | 82.67% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.38% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.03% | 89.00% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 84.62% | 96.69% |
CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.17% | 91.43% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.44% | 88.48% |
CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 83.40% | 85.83% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 82.19% | 96.76% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.99% | 99.15% |
CHEMBL1827 | O76074 | Phosphodiesterase 5A | 81.74% | 99.55% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.31% | 98.46% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.49% | 82.38% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.45% | 90.71% |
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.
Papaver arenarium |
PubChem | 101324776 |
LOTUS | LTS0183434 |
wikiData | Q104396918 |