isotaxiresinol (CHEBI:70194)

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ChEBI Name	isotaxiresinol

ChEBI ID	CHEBI:70194

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

Download	Molfile XML SDF

Formula

C19H22O6

Net Charge

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

InChIKey

GQLVRVYXAHDDLB-PJFSTRORSA-N

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.

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)

IUPAC Name

4-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol

Registry Number	Type	Source
2631782	Reaxys Registry Number	Reaxys

Citation	Type	Source
21138310	PubMed citation	Europe PMC

Last Modified

13 October 2014