(8S,13aS)-8-(hydroxymethyl)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,11-diol
| Internal ID | f19c738a-3a9a-4a79-ad93-9896f08c67d5 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (8S,13aS)-8-(hydroxymethyl)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,11-diol |
| SMILES (Canonical) | COC1=C(C2=C(CCN3C2CC4=CC(=C(C=C4C3CO)OC)O)C=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C(CCN3[C@H]2CC4=CC(=C(C=C4[C@H]3CO)OC)O)C=C1)O |
| InChI | InChI=1S/C20H23NO5/c1-25-17-4-3-11-5-6-21-14(19(11)20(17)24)7-12-8-16(23)18(26-2)9-13(12)15(21)10-22/h3-4,8-9,14-15,22-24H,5-7,10H2,1-2H3/t14-,15+/m0/s1 |
| InChI Key | BQLWITSRLZPGRR-LSDHHAIUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 82.40 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (8S,13aS)-8-(hydroxymethyl)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,11-diol](https://plantaedb.com/storage/docs/compounds/2023/11/24d41310-830b-11ee-995b-b93d59e86d3b.jpg "2D Structure of (8S,13aS)-8-(hydroxymethyl)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,11-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 | 99.14% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.27% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.10% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.54% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.36% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.05% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.22% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.99% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.16% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.27% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.15% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.44% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.44% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.49% | 94.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.11% | 90.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.86% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.48% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.96% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.13% | 91.03% |
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.
| Ceratocapnos heterocarpa |
| PubChem | 21726228 |
| LOTUS | LTS0211062 |
| wikiData | Q104944428 |