(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
| Internal ID | 28dcbddd-225c-4cbf-a908-4ad97ba1ce8d |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H19NO3/c1-22-18-8-11-4-5-19-10-12-2-3-14(20)6-13(12)7-16(19)15(11)9-17(18)21/h2-3,6,8-9,16,20-21H,4-5,7,10H2,1H3/t16-/m0/s1 |
| InChI Key | IWRZCJCFXSVREX-INIZCTEOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H19NO3 |
| Molecular Weight | 297.30 g/mol |
| Exact Mass | 297.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol](https://plantaedb.com/storage/docs/compounds/2023/11/13as-3-methoxy-681313a-tetrahydro-5h-isoquinolino21-bisoquinoline-211-diol.jpg "2D Structure of (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-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 | 98.52% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.23% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.61% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.97% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.76% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.58% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.85% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.74% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.21% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.13% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.88% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.24% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.85% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.21% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.66% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.56% | 93.99% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.17% | 88.48% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.16% | 82.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.08% | 91.03% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.76% | 96.25% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.24% | 82.38% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.24% | 85.00% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 80.69% | 99.09% |
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.
| There are no matching plants. |
| PubChem | 639020 |
| LOTUS | LTS0079950 |
| wikiData | Q105121832 |