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CHEBI:66036 - (2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan

ChEBI IDCHEBI:66036
ChEBI Name(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan
Stars
ASCII Name(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan
DefinitionA methoxyflavan that consists of (2S)-flavan substituted by hydroxy group at position 2' and methoxy groups at positions 7, 8, 3', 4' and 5' . Isolated from the roots of Muntingia calabura, it exhibits anticancer activity.
Last Modified9 November 2021
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
SMILESCOc1ccc2c(c1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1O)CC2
InChIInChI=1S/C20H24O7/c1-22-14-9-7-11-6-8-13(27-17(11)18(14)24-3)12-10-15(23-2)19(25-4)20(26-5)16(12)21/h7,9-10,13,21H,6,8H2,1-5H3/t13-/m0/s1
InChIKeyWULREJCBPYVGCY-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Muntingia calabura (ncbitaxon:45164) root (BTO:0001188) PubMed (2045815)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan (CHEBI:66036) has parent hydride (2S)-flavan (CHEBI:36103)
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan (CHEBI:66036) has role antineoplastic agent (CHEBI:35610)
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan (CHEBI:66036) has role plant metabolite (CHEBI:76924)
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan (CHEBI:66036) is a hydroxyflavan (CHEBI:72010)
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan (CHEBI:66036) is a methoxyflavan (CHEBI:72585)
IUPAC Name 
6-[(2S)-7,8-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trimethoxyphenol
Citations