Products 11027-63-7

CAS 11027-63-7 appears in our catalog under these names: Agnuside, 95%, Agnuside, Agnuside/ 98.98% (existing batch purity), Agnuside 98%, Agnuside, 98%, 98%. Offered by: Combi-blocks, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: 100mg, 10mg, 1mg, 50mg, 5mg, 25mg, 250mg, 10mM/1mL.

Agnuside, 95%
Combi-blocks
  • size: 100mg
  • Variants: 1
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Agnuside
TRC, GLPBio, Biosynth
  • size: 10mg, 1mg, 50mg, 25mg
  • Variants: 12
from 685.97
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Agnuside/ 98.98% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 445.96
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Agnuside 98%
Ambeed
  • size: 5mg, 10mg, 50mg, 100mg
  • Variants: 4
from 854.31
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Agnuside, 98%, 98%
Chemat
  • size: 5mg, 10mg, 50mg, 100mg
  • Variants: 4
from 678.80
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Agnuside, 99.90%
MedChemExpress
  • size: 10mM/1mL, 10 mg, 1 mg, 5 mg
  • Variants: 4
from 361.49
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Agnuside (Standard)
MedChemExpress
  • size: 5 mg, 50 mg, 100 mg, 1 mg
  • Variants: 6
from 598.33
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Agnuside, ROTICHROM® HPLC, 10 mg, glass
Roth
  • size: 10mg
  • Variants: 1
from 1694.34
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Agnuside, 97%
Fluorochem
  • size: 5mg
  • Variants: 1
from 1278.73
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Structural formula: {0} (CAS {1})

Agnuside is a benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. It has a role as a cyclooxygenase 2 inhibitor, an anti-inflammatory agent, a pro-angiogenic agent and a plant metabolite. It is a beta-D-glucoside, a member of phenols, a benzoate ester, a cyclopentapyran, an iridoid monoterpenoid, a terpene glycoside and a monosaccharide derivative. It is functionally related to an aucubin.

Source: ChEBI

Identity
Molecular formulaC22H26O11
Molecular weight466.4 g/mol
IUPAC name[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
InChIKeyGLACGTLACKLUJX-QNAXTHAFSA-N
SMILESC1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Agnuside, Buddlejoside A, (-)-Buddlejoside A, Agnoside, MEGxp0_000767, Agnusid, Agnuside (Standard), AGNUSIDE [USP-RS], orb1221234, orb1303636
Isomers (same molecular formula)
[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoate C22H26O11
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-acetylphenoxy)oxan-2-yl]methyl acetate C22H26O11
[(1S,4aR,5S,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 4-hydroxybenzoate C22H26O11