3-(hydroxymethyl)-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
| Internal ID | 9375fa54-7778-4e73-9cb9-c0f3291f3e45 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 3-(hydroxymethyl)-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol |
| SMILES (Canonical) | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)CO)O)C=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)CO)O)C=C1)O |
| InChI | InChI=1S/C19H21NO4/c1-24-18-3-2-11-7-16-14-8-17(22)13(10-21)6-12(14)4-5-20(16)9-15(11)19(18)23/h2-3,6,8,16,21-23H,4-5,7,9-10H2,1H3 |
| InChI Key | WQHQWBLCZPRPBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 73.20 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3-(hydroxymethyl)-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxymethyl-10-methoxy-681313a-tetrahydro-5h-isoquinolino21-bisoquinoline-29-diol.jpg "2D Structure of 3-(hydroxymethyl)-10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol")
| 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 | 99.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.40% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.47% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.34% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.67% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.44% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.72% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.54% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.35% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.50% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.82% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.21% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.15% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.13% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.39% | 99.17% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.92% | 88.48% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.71% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.65% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.03% | 90.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.94% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.00% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.91% | 94.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.30% | 90.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.04% | 89.05% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.34% | 82.38% |
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.
| Glaucium fimbrilligerum |
| PubChem | 162879759 |
| LOTUS | LTS0147908 |
| wikiData | Q105310722 |