(12S,13R)-17-methoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-16-ol
| Internal ID | 5af1e101-a53d-4fbf-8ebb-399efb6b02ac |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (12S,13R)-17-methoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-16-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m0/s1 |
| InChI Key | ZZLZJSUGMWPIBU-JEOXALJRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (12S,13R)-17-methoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ff5095c0-84b0-11ee-af3f-97b40fe5656d.jpg "2D Structure of (12S,13R)-17-methoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-16-ol")
| 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 | 98.14% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.00% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.17% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.98% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.47% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 93.24% | 82.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.12% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.62% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.94% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.81% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.72% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.08% | 96.77% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.94% | 89.62% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 88.11% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.78% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.01% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.88% | 96.86% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.79% | 89.05% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.78% | 91.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.36% | 82.38% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.31% | 91.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.48% | 90.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.33% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.80% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.66% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.23% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.86% | 95.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.84% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.31% | 90.24% |
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.
| Corydalis saxicola |
| PubChem | 101663202 |
| LOTUS | LTS0079054 |
| wikiData | Q105386895 |