(13aS)-2-hydroxy-3,9,10-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
| Internal ID | 7ac5d04b-b2fd-43a7-bd2d-2028cbd6a6a4 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (13aS)-2-hydroxy-3,9,10-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one |
| SMILES (Canonical) | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2=O)OC)O)C=C1)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2=O)OC)O)C=C1)OC |
| InChI | InChI=1S/C20H21NO5/c1-24-16-5-4-12-8-14-13-10-15(22)17(25-2)9-11(13)6-7-21(14)20(23)18(12)19(16)26-3/h4-5,9-10,14,22H,6-8H2,1-3H3/t14-/m0/s1 |
| InChI Key | CEQXFBGTZBZJQF-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (13aS)-2-hydroxy-3,9,10-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/13as-2-hydroxy-3910-trimethoxy-561313a-tetrahydroisoquinolino21-bisoquinolin-8-one.jpg "2D Structure of (13aS)-2-hydroxy-3,9,10-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one")
| 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 | 98.58% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.70% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.63% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.94% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.49% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.69% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 93.26% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.75% | 93.40% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.54% | 97.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.26% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.44% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.83% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.77% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.67% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.60% | 94.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.38% | 96.76% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.05% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.76% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.75% | 82.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.68% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.72% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.01% | 96.86% |
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.
| Coscinium fenestratum |
| PubChem | 162897731 |
| LOTUS | LTS0075455 |
| wikiData | Q104955964 |