CHEBI:70194 - isotaxiresinol

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ChEBI Name isotaxiresinol
Definition A lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H22O6
Net Charge 0
Average Mass 346.37440
Monoisotopic Mass 346.14164
InChI InChI=1S/C19H22O6/c1-25-18-6-11-4-12(8-20)14(9-21)19(13(11)7-17(18)24)10-2-3-15(22)16(23)5-10/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3/t12-,14-,19-/m0/s1
SMILES COc1cc2C[C@@H](CO)[C@H](CO)[C@@H](c3ccc(O)c(O)c3)c2cc1O
Metabolite of Species Details
Taxus yunnanensis (NCBI:txid147275) Found in xylem (BTO:0001468). Previous component: wood; Aqueous extract of air-dried, powdered wood 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isotaxiresinol (CHEBI:70194) has role plant metabolite (CHEBI:76924)
isotaxiresinol (CHEBI:70194) is a lignan (CHEBI:25036)
isotaxiresinol (CHEBI:70194) is a pentol (CHEBI:37205)
isotaxiresinol (CHEBI:70194) is a polyphenol (CHEBI:26195)
isotaxiresinol (CHEBI:70194) is a primary alcohol (CHEBI:15734)
Registry Number Type Source
2631782 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21138310 PubMed citation Europe PMC
Last Modified
13 October 2014