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CHEBI:70196 - tanegool

ChEBI IDCHEBI:70196
ChEBI Nametanegool
Stars
DefinitionA lignan that consists of tetrahydrofuran ring substituted by a 4-hydroxy-3-methoxyphenyl group at position 5, a hydroxyphenyl group at position 4 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 3. It has been isolated from Taxus yunnanensis.
Last Modified7 April 2017
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
SMILES[H][C@@]1([C@H](O)c2ccc(O)c(OC)c2)CO[C@H](c2ccc(O)c(OC)c2)[C@H]1CO
InChIInChI=1S/C20H24O7/c1-25-17-7-11(3-5-15(17)22)19(24)14-10-27-20(13(14)9-21)12-4-6-16(23)18(8-12)26-2/h3-8,13-14,19-24H,9-10H2,1-2H3/t13-,14+,19+,20+/m0/s1
InChIKeyMWQRAOGWLXTMIC-TUGJPZLJSA-N
Species of MetaboliteComponentSourceComments
Taxus yunnanensis (ncbitaxon:147275) xylem (BTO:0001468) PubMed (21138310) Previous component: wood; Aqueous extract of air-dried, powdered wood
Roles Classification
Chemical Role:
polar aprotic solvent  A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
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:
polar aprotic solvent  A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
ChEBI Ontology
Outgoing Relation(s)
tanegool (CHEBI:70196) has role plant metabolite (CHEBI:76924)
tanegool (CHEBI:70196) is a guaiacols (CHEBI:134251)
tanegool (CHEBI:70196) is a lignan (CHEBI:25036)
tanegool (CHEBI:70196) is a oxolane (CHEBI:26911)
tanegool (CHEBI:70196) is a polyphenol (CHEBI:26195)
tanegool (CHEBI:70196) is a tetrol (CHEBI:33573)
IUPAC Name 
4-{(S)-hydroxy[(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methyl}-2-methoxyphenol
Synonym  Source
(7S,8R,7'S,8'S)-4,4',9,7'-tetrahydroxy-3,3'-dimethoxy-7,9'-epoxylignanChEBI
Registry NumbersSources
Reaxys:4300905Reaxys
Citations