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Heterocyclic compounds

Irigenin

Also known as 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one, 5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone, 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one

CAS 548-76-5Formula C18H16O8Molar mass 360.32 g/molEC 208-958-3
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Irigenin chemical structure, C18H16O8, CAS 548-76-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
548-76-5
Formula
C18H16O8
Molar mass
360.32 g/mol
EC number
208-958-3
HS code
293299
Category
Heterocyclic compounds

What is Irigenin?

Plain description, key identifiers and synonyms

Irigenin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively. It has a role as a plant metabolite. It is a member of 4'-methoxyisoflavones and a hydroxyisoflavone. It is functionally related to an isoflavone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CAS number
548-76-5 CAS number cross-checked
EC number
208-958-3
Molecular formula
C18H16O8
UNII
6O4NX37350
MDL number
MFCD00597047
InChIKey
TUGWPJJTQNLKCL-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3
SMILES (canonical and isomeric)
COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O

Synonyms

  • 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
  • 5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone
  • 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one
  • 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone
  • 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • 5,7,3'-trihydroxy-6,4',5'-trimethoxyisoflavone
  • Irigenin?
  • Irigenin (Standard)
  • 3',5,7-Trihydroxy-4',5',6-trimethoxyisoflavone
  • 5,7-Di-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
  • 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-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
360.32 g/molcalc.
Exact mass
360.0845 Dacalc.
LogP (octanol/water)
2.6calc.
Topological polar surface area
118.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.17calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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=c1c(-c2ccccc2)coc2ccccc12

O=c1c(-c2ccccc2)coc2ccccc12

3 rings, 17 atoms, the Isoflavone ring system.

954 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.

Irigenin suppliers

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Irigenin 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

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

Frequently asked questions

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

What is Irigenin?

Irigenin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively. It has a role as a plant metabolite. It is a member of 4'-methoxyisoflavones and a hydroxyisoflavone. It is functionally related to an isoflavone.

What is the CAS number of Irigenin?

The CAS registry number of Irigenin is 548-76-5.

What is the molecular formula and weight of Irigenin?

The molecular formula of Irigenin is C18H16O8 and its molar mass is 360.32 g/mol.

What is Irigenin used for?

Known uses and roles of Irigenin include eukaryotic metabolite, metabolite and plant metabolite.

Is Irigenin hazardous?

No GHS hazard classification for Irigenin 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 Irigenin?

Irigenin 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 Irigenin?

CompoundList lists 1 supplier of Irigenin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Irigenin?

Suppliers quote Irigenin 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 Irigenin

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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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