(11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene-11,17-diol
| Internal ID | d081cac8-e330-4be5-874a-395ef8007013 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene-11,17-diol |
| SMILES (Canonical) | COC1=C(C=CC2=CC3=[N+](CC(C4=CC5=C(C=C43)OCO5)O)C=C21)O |
| SMILES (Isomeric) | COC1=C(C=CC2=CC3=[N+](C[C@@H](C4=CC5=C(C=C43)OCO5)O)C=C21)O |
| InChI | InChI=1S/C19H15NO5/c1-23-19-13-7-20-8-16(22)12-6-18-17(24-9-25-18)5-11(12)14(20)4-10(13)2-3-15(19)21/h2-7,16,22H,8-9H2,1H3/p+1/t16-/m0/s1 |
| InChI Key | LQGRWSKECPQNES-INIZCTEOSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16NO5+ |
| Molecular Weight | 338.30 g/mol |
| Exact Mass | 338.10284761 g/mol |
| Topological Polar Surface Area (TPSA) | 72.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene-11,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/38458540-86b3-11ee-a4d6-8511b4714160.jpg "2D Structure of (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene-11,17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.92% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.61% | 96.77% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.78% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.69% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.49% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.24% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.04% | 94.80% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.78% | 80.78% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.73% | 88.48% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.40% | 91.49% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.11% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.58% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.37% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.34% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.96% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.74% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.29% | 98.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.04% | 83.57% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.82% | 85.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
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 fendleri |
| Thalictrum foliolosum |
| Thalictrum minus var. hypoleucum |
| PubChem | 154497569 |
| LOTUS | LTS0261392 |
| wikiData | Q105200890 |