loading...| Preferred Name |
berberine |
|
| Synonyms |
9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium C20H18NO4 BERBERINE Berberin Berberine 9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-13-ylium Umbellatine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16118 |
|
| altId |
CHEBI:22753 CHEBI:13893 CHEBI:41098 CHEBI:3066 |
|
| CASRN |
2086-83-1 |
|
| DBname |
berberine |
|
| Definition |
A berberine alkaloid that has formula C20H18NO4. |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_35679 http://purl.obolibrary.org/obo/CHEBI_26619 http://purl.obolibrary.org/obo/CHEBI_22586 http://purl.obolibrary.org/obo/CHEBI_35526 |
|
| InChI |
InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
|
| InChIKey |
InChIKey=YBHILYKTIRIUTE-UHFFFAOYSA-N |
|
| label |
berberine |
|
| prefixIRI |
obo2:CHEBI_16118 |
|
| prefLabel |
berberine |
|
| related with | ||
| SMILES |
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC |
|
| Synonym |
9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium C20H18NO4 BERBERINE Berberin Berberine 9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-13-ylium Umbellatine |
|
| xref |
CiteXplore:15531889 ChEBI:16118 PDBeChem:BER HMDB:HMDB03409 CASRN:3570374 PDB:BER PubChem Compound:2353 CiteXplore:23231038 CiteXplore:8730735 DrugBank:DB04115 PharmGKB:PA165860812 CiteXplore:18537696 ChEMBL:166831 CiteXplore:19704371 CiteXplore:21500372 PubChem Substance:46506051 NIST Chemistry WebBook:2086-83-1 CASRN:2086-83-1 KEGG COMPOUND:C00757 CiteXplore:19014947 CiteXplore:19652370 CiteXplore:17089049 |
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| subClassOf |