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CHEBI:132393 - forrestine

ChEBI IDCHEBI:132393
ChEBI Nameforrestine
Stars
DefinitionA sesquiterpene alkaloid that is isolated from Tripterygium forrestii, Platanus chiapensis and Maytenus chiapensis.
Last Modified12 July 2016
Submitterliuqingping
DownloadsMolfile
FormulaC43H49NO18
Net Charge0
Average Mass867.854
Monoisotopic Mass867.29496
SMILES[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@]([H])([C@H](OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(60-38(51)27-14-11-10-12-15-27)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1
InChIKeyLBQLWUULERJYOL-PDVUZMAKSA-N
Species of MetaboliteComponentSourceComments
Tripterygium forrestii (ncbitaxon:859950) root (BTO:0001188) DOI (10.1016/0031-9422(92)80491-V)
Peritassa campestris (ncbitaxon:123445) root (BTO:0001188) PubMed (11738408)
Maytenus chiapensis (ncbitaxon:307269) leaf (BTO:0000713) PubMed (14738378)
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)
forrestine (CHEBI:132393) has role plant metabolite (CHEBI:76924)
forrestine (CHEBI:132393) is a acetate ester (CHEBI:47622)
forrestine (CHEBI:132393) is a benzoate ester (CHEBI:36054)
forrestine (CHEBI:132393) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
forrestine (CHEBI:132393) is a macrolide (CHEBI:25106)
forrestine (CHEBI:132393) is a pyridine alkaloid (CHEBI:26416)
forrestine (CHEBI:132393) is a sesquiterpene alkaloid (CHEBI:26657)
Manual XrefsDatabases
C00043510KNApSAcK
Registry NumbersSources
Reaxys:8105266Reaxys
CAS:146439-78-3KNApSAcK
Citations