(12S)-7,15,16,17-tetramethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
| Internal ID | a4b9f32e-dcbb-4474-9e08-b770daba3304 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-7,15,16,17-tetramethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene |
| SMILES (Canonical) | C[N+]1(CCC2=C3C1CC4=C(C(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC)OC)[O-] |
| SMILES (Isomeric) | C[N+]1(CCC2=C3[C@@H]1CC4=C(C(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC)OC)[O-] |
| InChI | InChI=1S/C22H25NO7/c1-23(24)7-6-11-16-14(23)8-13-12(9-15(25-2)20(28-5)19(13)27-4)17(16)21-22(18(11)26-3)30-10-29-21/h9,14H,6-8,10H2,1-5H3/t14-,23?/m0/s1 |
| InChI Key | KVRQAVLXNPXEES-JRQMZCAUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H25NO7 |
| Molecular Weight | 415.40 g/mol |
| Exact Mass | 415.16310214 g/mol |
| Topological Polar Surface Area (TPSA) | 73.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (12S)-7,15,16,17-tetramethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/b795d7b0-860e-11ee-a7ba-b18c4727a797.jpg "2D Structure of (12S)-7,15,16,17-tetramethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene")
| 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 | 97.31% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 95.68% | 96.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.13% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.18% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.83% | 91.11% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.94% | 95.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.52% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.02% | 92.94% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.01% | 82.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.65% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.13% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.90% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.81% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.70% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.91% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.88% | 99.17% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.15% | 92.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.85% | 98.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.41% | 91.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.12% | 88.48% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.88% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.60% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.99% | 96.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.84% | 96.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.60% | 97.25% |
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.
| Thalictrum simplex |
| PubChem | 15226560 |
| LOTUS | LTS0066190 |
| wikiData | Q104403569 |