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Flavonoids and polyphenols

Isosalipurposide

Also known as Phlorizin chalcone, iso-salipurposide, (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

CAS 4547-85-7Formula C21H22O10Molar mass 434.40 g/mol
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Isosalipurposide chemical structure, C21H22O10, CAS 4547-85-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4547-85-7
Formula
C21H22O10
Molar mass
434.40 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Isosalipurposide?

Plain description, key identifiers and synonyms

Phlorizin chalcone is a monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 4' and 6 and a beta-D-glucopyranosyloxy group at position 2' respectively. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a member of chalcones, a member of resorcinols and a monosaccharide derivative. It is functionally related to a trans-chalcone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CAS number
4547-85-7
Molecular formula
C21H22O10
InChIKey
WQCWELFQKXIPCN-JSYAWONVSA-N
InChI
InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
Canonical SMILES
O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

Synonyms

  • Phlorizin chalcone
  • iso-salipurposide
  • (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (E)-1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (E)-1-(2,4-dihydroxy-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
  • Chalcone 2'-O-glucoside
  • 2-Propen-1-one, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-
  • 3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl beta-D-glucopyranoside
  • Isosalipurposide - API Standards
  • (E)-3-(4-Hydroxyphenyl)-1-(2-beta-D-glucopyranosyloxy-4,6-dihydroxyphenyl)-2-propene-1-one
  • (E)-1-(2,4-Dihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
434.40 g/molcalc.
Exact mass
434.1213 Dacalc.
LogP (octanol/water)
-0.12calc.
Topological polar surface area
177.1 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(C=Cc1ccccc1)c1ccccc1OC1CCCCO1

O=C(C=Cc1ccccc1)c1ccccc1OC1CCCCO1

3 rings, 23 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Isosalipurposide suppliers

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Isosalipurposide price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antioxidant
  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isosalipurposide is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isosalipurposide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isosalipurposide, based on the data on this page

What is Isosalipurposide?

Phlorizin chalcone is a monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 4' and 6 and a beta-D-glucopyranosyloxy group at position 2' respectively. It has a role as an antioxidant and a plant metabolite.

What is the CAS number of Isosalipurposide?

The CAS registry number of Isosalipurposide is 4547-85-7.

What is the molecular formula and weight of Isosalipurposide?

The molecular formula of Isosalipurposide is C21H22O10 and its molar mass is 434.40 g/mol.

What is Isosalipurposide used for?

Known uses and roles of Isosalipurposide include antioxidant, eukaryotic metabolite, metabolite and plant metabolite.

Is Isosalipurposide hazardous?

No GHS hazard classification for Isosalipurposide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Isosalipurposide?

Isosalipurposide is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isosalipurposide?

Post a free request on CompoundList and suppliers of Isosalipurposide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Isosalipurposide?

Suppliers quote Isosalipurposide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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