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

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ChEBI Name (2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan
ChEBI ID CHEBI:66036
ChEBI ASCII Name (2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H24O7
Net Charge 0
Average Mass 376.40040
Monoisotopic Mass 376.15220
InChI InChI=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
InChIKey WULREJCBPYVGCY-ZDUSSCGKSA-N
SMILES COc1ccc2CC[C@H](Oc2c1OC)c1cc(OC)c(OC)c(OC)c1O
Metabolite of Species Details
Muntingia calabura (NCBI:txid45164) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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
Citation Waiting for Citations Type Source
2045815 PubMed citation Europe PMC
Last Modified
09 November 2021