(8S,13aR)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
| Internal ID | 8ffc99fd-1d7a-449b-85cc-68e26f2bd5a8 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (8S,13aR)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol |
| SMILES (Canonical) | C1CN2C(CC3=CC(=C(C=C3C2CC4=CC(=C(C=C4)O)O)O)O)C5=CC(=C(C=C51)O)O |
| SMILES (Isomeric) | C1CN2[C@H](CC3=CC(=C(C=C3[C@@H]2CC4=CC(=C(C=C4)O)O)O)O)C5=CC(=C(C=C51)O)O |
| InChI | InChI=1S/C24H23NO6/c26-19-2-1-12(6-20(19)27)5-17-16-11-24(31)22(29)9-14(16)7-18-15-10-23(30)21(28)8-13(15)3-4-25(17)18/h1-2,6,8-11,17-18,26-31H,3-5,7H2/t17-,18+/m0/s1 |
| InChI Key | FAGGKCPHMLDUDN-ZWKOTPCHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H23NO6 |
| Molecular Weight | 421.40 g/mol |
| Exact Mass | 421.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (8S,13aR)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/a8039bc0-8601-11ee-aa30-f7332bf52c58.jpg "2D Structure of (8S,13aR)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.48% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.39% | 95.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.00% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.22% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.34% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.25% | 96.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.17% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.29% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.86% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.83% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
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.
| Talinum paniculatum |
| PubChem | 10982715 |
| LOTUS | LTS0197865 |
| wikiData | Q104992241 |