(3,17,18-Trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-19-yl)methanol
| Internal ID | c851b7eb-d8e9-4ca1-b921-e0c30c9794d6 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (3,17,18-trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-19-yl)methanol |
| SMILES (Canonical) | COC1=C(C(=C2C=C3C4=C(C5=C(C=C4CC[N+]3=CC2=C1)OCO5)OC)CO)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C=C3C4=C(C5=C(C=C4CC[N+]3=CC2=C1)OCO5)OC)CO)OC |
| InChI | InChI=1S/C22H22NO6/c1-25-17-7-13-9-23-5-4-12-6-18-21(29-11-28-18)22(27-3)19(12)16(23)8-14(13)15(10-24)20(17)26-2/h6-9,24H,4-5,10-11H2,1-3H3/q+1 |
| InChI Key | YBDPGYNCDXZFOS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22NO6+ |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.14471242 g/mol |
| Topological Polar Surface Area (TPSA) | 70.30 Ų |
| XlogP | 2.70 |
| BDBM50582208 |
![2D Structure of (3,17,18-Trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-19-yl)methanol](https://plantaedb.com/storage/docs/compounds/2023/11/0d5649b0-8735-11ee-9ca9-9b653b9110c2.jpg "2D Structure of (3,17,18-Trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-19-yl)methanol")
| 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 | 97.66% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.61% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.83% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.28% | 92.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.81% | 96.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.59% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.06% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.16% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.16% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.85% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.04% | 96.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.04% | 82.67% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.93% | 92.38% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.62% | 95.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.41% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.13% | 94.73% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.29% | 94.03% |
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.
| Papaver pygmaeum |
| PubChem | 101285910 |
| LOTUS | LTS0228520 |
| wikiData | Q105345774 |