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CHEBI:2538 - alangiside

ChEBI IDCHEBI:2538
ChEBI Namealangiside
Stars
DefinitionAn organic heterotetracyclic compound that is an alkaloidal glycoside isolated from Alangium salviifolium.
Last Modified4 February 2015
DownloadsMolfile
FormulaC25H31NO10
Net Charge0
Average Mass505.520
Monoisotopic Mass505.19480
SMILES[H][C@]12C[C@]3([H])c4cc(O)c(OC)cc4CCN3C(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2C=C
InChIInChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12?,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1
InChIKeyBCYNGTTVQNJTCV-KFWOGKQRSA-N
Species of MetaboliteComponentSourceComments
Alangium grisolleoides (ncbitaxon:616979) - PubMed (16124751)
Alangium salviifolium (ncbitaxon:616984) - PubMed (1171883)
Alangium javanicum (ncbitaxon:1504380) - PubMed (16124751)
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)
alangiside (CHEBI:2538) has role plant metabolite (CHEBI:76924)
alangiside (CHEBI:2538) is a aromatic ether (CHEBI:35618)
alangiside (CHEBI:2538) is a isoquinoline alkaloid (CHEBI:24921)
alangiside (CHEBI:2538) is a isoquinolines (CHEBI:24922)
alangiside (CHEBI:2538) is a olefinic compound (CHEBI:78840)
alangiside (CHEBI:2538) is a organic heterotetracyclic compound (CHEBI:38163)
alangiside (CHEBI:2538) is a phenols (CHEBI:33853)
alangiside (CHEBI:2538) is a terpene glycoside (CHEBI:61777)
alangiside (CHEBI:2538) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(11S,12aR,13aR)-12-ethenyl-11-(β-D-glucopyranosyloxy)-2-hydroxy-3-methoxy-5,6,12,12a,13,13a-hexahydro-11H-pyrano[4',3':4,5]pyrido[2,1-a]isoquinolin-8-one
Synonym  Source
AlangisideKEGG COMPOUND
Manual XrefsDatabases
C09330KEGG COMPOUND
C00001798KNApSAcK
Registry NumbersSources
CAS:34482-51-4KEGG COMPOUND
Citations