8-Trichloromethyldihydroberberine
Internal ID | 50b68e84-bd8e-4105-be0a-26b6293902bc |
Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
IUPAC Name | 16,17-dimethoxy-14-(trichloromethyl)-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-heptaene |
SMILES (Canonical) | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC |
SMILES (Isomeric) | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC |
InChI | InChI=1S/C21H18Cl3NO4/c1-26-15-4-3-12-7-14-13-9-17-16(28-10-29-17)8-11(13)5-6-25(14)20(21(22,23)24)18(12)19(15)27-2/h3-4,7-9,20H,5-6,10H2,1-2H3 |
InChI Key | CAGHPRDTHLKFCW-UHFFFAOYSA-N |
Popularity | 2 references in papers |
Molecular Formula | C21H18Cl3NO4 |
Molecular Weight | 454.70 g/mol |
Exact Mass | 453.030141 g/mol |
Topological Polar Surface Area (TPSA) | 40.20 Ų |
XlogP | 5.40 |
8-Trichloromethyldihydroberberine |
NSC269192 |
dimethoxy(trichloromethyl)[?] |
CHEMBL396263 |
SCHEMBL12329060 |
DTXSID80313347 |
NSC-269192 |
6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8-dihydro-9,10-dimethoxy-8-(trichloromethyl)- |
NCI60_002194 |
TRICHLOROMETHYLDIHYDROBERBRINE, 8- |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 8-Trichloromethyldihydroberberine 2D Structure of 8-Trichloromethyldihydroberberine](https://plantaedb.com/storage/docs/compounds/2023/11/8-trichloromethyldihydroberberine.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 |
---|---|---|---|---|
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.38% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.35% | 91.49% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.15% | 89.62% |
CHEMBL2581 | P07339 | Cathepsin D | 93.11% | 98.95% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 92.61% | 82.67% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.65% | 95.78% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.46% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.99% | 95.89% |
CHEMBL5747 | Q92793 | CREB-binding protein | 90.81% | 95.12% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.60% | 91.11% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.25% | 92.62% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.11% | 96.09% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.10% | 93.40% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.35% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.45% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.34% | 94.00% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.23% | 96.86% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.00% | 97.14% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.40% | 93.99% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.31% | 94.78% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.56% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.39% | 94.45% |
CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 83.85% | 92.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.31% | 89.00% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.15% | 90.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.93% | 100.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.81% | 100.00% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.49% | 90.24% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.06% | 96.25% |
CHEMBL2535 | P11166 | Glucose transporter | 81.33% | 98.75% |
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.
Berberis integerrima |
Berberis lycium |
PubChem | 320713 |
LOTUS | LTS0240019 |
wikiData | Q82064327 |