(9R,17S)-4-methoxy-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-5,12,13,20,21-pentol
| Internal ID | c430b8cb-5ab3-47a6-9b37-ce3c9b58de75 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (9R,17S)-4-methoxy-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-5,12,13,20,21-pentol |
| SMILES (Canonical) | COC1=C(C=C2CC3C4=CC(=C(C=C4CC5[N+]3(C2=C1)CCC6=CC(=C(C=C56)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C2C[C@@H]3C4=CC(=C(C=C4C[C@@H]5[N+]3(C2=C1)CCC6=CC(=C(C=C56)O)O)O)O)O |
| InChI | InChI=1S/C25H23NO6/c1-32-25-11-17-14(8-24(25)31)5-19-16-10-23(30)21(28)7-13(16)4-18-15-9-22(29)20(27)6-12(15)2-3-26(17,18)19/h6-11,18-19H,2-5H2,1H3,(H4-,27,28,29,30,31)/p+1/t18-,19+,26?/m0/s1 |
| InChI Key | QAXHHTKPOZDKNR-VEVGUTQDSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24NO6+ |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.16036249 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (9R,17S)-4-methoxy-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-5,12,13,20,21-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/d82c4880-8570-11ee-81ed-dbd20230547a.jpg "2D Structure of (9R,17S)-4-methoxy-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-5,12,13,20,21-pentol")
| 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 | 98.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.32% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.39% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.58% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.79% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.58% | 99.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.49% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.02% | 98.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.81% | 88.48% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.77% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.41% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.78% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.54% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.83% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.41% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.88% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.01% | 93.99% |
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.
| Gnetum latifolium |
| PubChem | 163185944 |
| LOTUS | LTS0171747 |
| wikiData | Q105217658 |