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Flavonoids and polyphenols

Isoscoparin

Also known as C-Glucosyl-6 chrysoeriol, Chrysoeriol 6-C-glucoside, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS 20013-23-4Formula C22H22O11Molar mass 462.41 g/mol
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Isoscoparin chemical structure, C22H22O11, CAS 20013-23-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20013-23-4
Formula
C22H22O11
Molar mass
462.41 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Isoscoparin?

Plain description, key identifiers and synonyms

Isoscoparin is a C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6. It has a role as a metabolite. It is a C-glycosyl compound, a monomethoxyflavone, a trihydroxyflavone and a monosaccharide derivative. It is functionally related to a 4',5,7-trihydroxy-3'-methoxyflavone. It is a conjugate acid of an isoscoparin-7-olate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CAS number
20013-23-4 CAS number cross-checked
Molecular formula
C22H22O11
InChIKey
KOMUHHCFAXYRPO-DGHBBABESA-N
InChI
InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1
Canonical SMILES
COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)cc3o2)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Synonyms

  • C-Glucosyl-6 chrysoeriol
  • Chrysoeriol 6-C-glucoside
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
  • (1S)-1,5-anhydro-1-(5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl)-D-glucitol
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
  • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
  • Isoscoparine
  • (+)-Isoscoparin
  • 3'-methoxyl isovitexin
  • Kaempherol 3-O-beta-sophoroside
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
  • (1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
  • 1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]hexitol
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-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
462.41 g/molcalc.
Exact mass
462.1162 Dacalc.
LogP (octanol/water)
0.1calc.
Topological polar surface area
190.3 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 violations)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=c1cc(-c2ccccc2)oc2ccc(C3CCCCO3)cc12

O=c1cc(-c2ccccc2)oc2ccc(C3CCCCO3)cc12

4 rings, 23 atoms.

24 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.

Isoscoparin suppliers

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Isoscoparin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • 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 Isoscoparin 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 Isoscoparin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Isoscoparin?

Isoscoparin is a C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6. It has a role as a metabolite. It is a C-glycosyl compound, a monomethoxyflavone, a trihydroxyflavone and a monosaccharide derivative.

What is the CAS number of Isoscoparin?

The CAS registry number of Isoscoparin is 20013-23-4.

What is the molecular formula and weight of Isoscoparin?

The molecular formula of Isoscoparin is C22H22O11 and its molar mass is 462.41 g/mol.

What is Isoscoparin used for?

Known uses and roles of Isoscoparin include metabolite.

Is Isoscoparin hazardous?

No GHS hazard classification for Isoscoparin 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 Isoscoparin?

Isoscoparin 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 Isoscoparin?

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

What is the price of Isoscoparin?

Suppliers quote Isoscoparin 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

Practical guides that help when you source, ship or handle Isoscoparin

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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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