9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinol
Internal ID | 8c229cdb-bce8-4df5-b140-03b28ffcc218 |
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-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol |
SMILES (Canonical) | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2O)OCO5)OC |
SMILES (Isomeric) | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2O)OCO5)OC |
InChI | InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3 |
InChI Key | ZRBGFWOXAQPDTH-UHFFFAOYSA-N |
Popularity | 2 references in papers |
Molecular Formula | C20H19NO5 |
Molecular Weight | 353.40 g/mol |
Exact Mass | 353.12632271 g/mol |
Topological Polar Surface Area (TPSA) | 60.40 Ų |
XlogP | 3.00 |
10134-52-8 |
Berberinol |
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol |
8-BERBINOL, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)- |
SCHEMBL13328184 |
DTXSID50906068 |
9,10-Dimethoxy-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-ol |
![2D Structure of 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinol 2D Structure of 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinol](https://plantaedb.com/storage/docs/compounds/2023/11/910-dimethoxy-23-methylenedioxy-1313a-didehydro-8-berbinol.jpg)
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 | 98.39% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.68% | 96.77% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.59% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 93.88% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.35% | 89.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.03% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.06% | 91.11% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.35% | 95.89% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.65% | 82.67% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.01% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.69% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.60% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.68% | 92.62% |
CHEMBL5747 | Q92793 | CREB-binding protein | 86.67% | 95.12% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.60% | 94.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.53% | 95.78% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.54% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.54% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.05% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.63% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 82.95% | 98.75% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.75% | 94.45% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.54% | 91.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.41% | 99.17% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 81.38% | 96.76% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.29% | 90.95% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.26% | 82.38% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.69% | 94.78% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.09% | 88.48% |
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.
Argemone mexicana |
Berberis insignis |
Berberis umbellata |
Berberis vulgaris |
Coptis japonica |
Hydrastis canadensis |
Toddalia asiatica |
PubChem | 24974 |
LOTUS | LTS0216203 |
wikiData | Q82874739 |