Products 26194-57-0

CAS 26194-57-0 is the registry number for Isotaxiresinol. Offered by: TargetMol, Biosynth, MedChemExpress. Available pack sizes: 5mg, 25mg, 1mg, 10mg, 50mg, Get quote.

Isotaxiresinol
TargetMol, Biosynth, MedChemExpress
  • size: 5mg, 25mg, 1mg, 10mg
  • Variants: 7
from 10420.20
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Structural formula: {0} (CAS {1})

Isotaxiresinol is 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. It has a role as a plant metabolite. It is a primary alcohol, a lignan, a polyphenol and a pentol.

Source: ChEBI

Identity
Molecular formulaC19H22O6
Molecular weight346.4 g/mol
IUPAC name4-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol
InChIKeyGQLVRVYXAHDDLB-PJFSTRORSA-N
SMILESCOC1=C(C=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)O)O

Computed by PubChem (NCBI)

Synonyms: Isotaxiresinol, orb1682306, GQLVRVYXAHDDLB-PJFSTRORSA-N
Isomers (same molecular formula)
[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate C19H22O6
3,3-bis(3,4-dimethoxyphenyl)propanoic acid C19H22O6
(1R,2S,3S,4S,5S,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid C19H22O6
13,17-dihydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.14,7.01,10.03,9]heptadec-8-ene-2-carboxylic acid C19H22O6
(1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid C19H22O6
(1R,2R,5S,8S,9S,10R,11S,12S)-6-(dideuterio(113C)methylidene)-5,12-dihydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid C19H22O6
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid C19H22O6
(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol C19H22O6
(1R,2R,5R,7R,8R,9S,10R,11S,12S)-7,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid C19H22O6
(3E,3aS,4S,8bS)-4-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one C19H22O6
(2E,6E)-8-(4-hydroxy-6-methoxy-1-oxo-3H-2-benzofuran-5-yl)-2,6-dimethylocta-2,6-dienoic acid C19H22O6
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-one C19H22O6