(7R,13aS)-2,10,11-trimethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-1-ol
| Internal ID | b4f41150-2c73-40da-9455-5114249df39b |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (7R,13aS)-2,10,11-trimethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-1-ol |
| SMILES (Canonical) | COC1=C(C2=C(CC[N+]3(C2CC4=CC(=C(C=C4C3)OC)OC)[O-])C=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C(CC[N@@+]3([C@H]2CC4=CC(=C(C=C4C3)OC)OC)[O-])C=C1)O |
| InChI | InChI=1S/C20H23NO5/c1-24-16-5-4-12-6-7-21(23)11-14-10-18(26-3)17(25-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-,21+/m0/s1 |
| InChI Key | NALMCDFSZHXDEY-YCRPNKLZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 66.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (7R,13aS)-2,10,11-trimethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0696c3d0-85a0-11ee-ab7a-43bc241c0cf7.jpg "2D Structure of (7R,13aS)-2,10,11-trimethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-1-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.68% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.89% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.24% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.18% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.74% | 93.99% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.57% | 83.82% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.52% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.11% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.99% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.15% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.68% | 98.75% |
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 | 163191235 |
| LOTUS | LTS0143113 |
| wikiData | Q105176392 |