13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-
| Internal ID | 28db78f6-b895-405b-907b-e1f4fb61c2da |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC |
| InChI | InChI=1S/C20H21NO5/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22/h3-4,7-8,18-19,22H,5-6,9-10H2,1-2H3 |
| InChI Key | FLSSXYPKPLFNLK-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.00 |
| 13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)- |
| l-Ophiocarpine |
| DTXSID20963941 |
| FLSSXYPKPLFNLK-UHFFFAOYSA-N |
| HMS3358B15 |
| 13a-alpha-BERBIN-13-beta-OL, 9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)- |
| 5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizin-13-ol |
| (13R,13aR)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-13beta-ol |
| 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol |
| 9,10-Dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-13-ol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.80% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.14% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.34% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.58% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.49% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.01% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.76% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.53% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.32% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.86% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.53% | 82.67% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.70% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.70% | 82.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.10% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.87% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.40% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.04% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.95% | 91.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.68% | 96.86% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.16% | 90.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.70% | 95.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.60% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.01% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.11% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.98% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.42% | 96.76% |
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 campulicarpa |
| Corydalis cheilanthifolia |
| Corydalis ophiocarpa |
| PubChem | 10164 |
| LOTUS | LTS0047930 |
| wikiData | Q82945846 |