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CHEBI:132895 - oxofangchirine

ChEBI IDCHEBI:132895
ChEBI Nameoxofangchirine
Stars
DefinitionA bisbenzylisoquinoline alkaloid that is 1',2',3',4'-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6', 7, and 12, and an oxo group at the 15' position. Isolated from Stephania tetrandra.
Last Modified30 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC37H34N2O7
Net Charge0
Average Mass618.686
Monoisotopic Mass618.23660
SMILESCOc1ccc2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3
InChIInChI=1S/C37H34N2O7/c1-39-15-13-24-19-32(43-4)36(44-5)37-33(24)27(39)16-21-6-11-28(41-2)30(17-21)45-25-9-7-22(8-10-25)35(40)34-26-20-31(46-37)29(42-3)18-23(26)12-14-38-34/h6-12,14,17-20,27H,13,15-16H2,1-5H3
InChIKeyINUHRHLZFLIFNB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stephania tetrandra (ncbitaxon:425106) - PubMed (3728032)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
oxofangchirine (CHEBI:132895) has role plant metabolite (CHEBI:76924)
oxofangchirine (CHEBI:132895) is a aromatic ether (CHEBI:35618)
oxofangchirine (CHEBI:132895) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
oxofangchirine (CHEBI:132895) is a macrocycle (CHEBI:51026)
IUPAC Name 
6,6',7,12-tetramethoxy-2-methyl-1',2',3',4'-tetradehydroberbaman-15'-one
Manual XrefsDatabases
C00025994KNApSAcK
Registry NumbersSources
CAS:102516-53-0ChemIDplus
Citations