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Flavonoids and polyphenols

Silymarin

Also known as Silimarin, 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one, 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one

CAS 65666-07-1Formula C25H22O10Molar mass 482.44 g/molEC 613-830-9
GHS signal word: Warning. Pictograms: Serious health hazard 103 suppliers listed
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Silymarin chemical structure, C25H22O10, CAS 65666-07-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65666-07-1
Formula
C25H22O10
Molar mass
482.44 g/mol
EC number
613-830-9
HS code
293299
Category
Flavonoids and polyphenols

What is Silymarin?

Plain description, key identifiers and synonyms

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one is a flavonolignan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
CAS number
65666-07-1 CAS number cross-checkedOther or deprecated CAS: 142796-20-1, 22888-70-6, 84604-20-6
EC number
613-830-9
Molecular formula
C25H22O10
MDL number
MFCD00017488
INCI name
SILYBUM MARIANUM CALLUS EXTRACT, SILYBUM MARIANUM EXTRACT, SILYBUM MARIANUM FRUIT EXTRACT, SILYBUM MARIANUM POWDER
InChIKey
SEBFKMXJBCUCAI-UHFFFAOYSA-N
InChI
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
SMILES (canonical and isomeric)
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

Synonyms

  • Silimarin
  • 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
  • 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one
  • Silybin
  • Flavobin Spofa
  • (2S)-3,5,7-trihydroxy-2-[(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
  • (2R,3R)-3,5,7-trihydroxy-2-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
  • Silymarin (>80%)
  • Silibin
  • 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one
  • 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one,2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-
  • Silybin, Silibinin A, Silymarin I
  • Silmyarin
  • Silibinin B
  • Silibinin, INN
  • 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one
  • Silybin (7CI)
  • Silybum substance E6
  • Silybin(Mixture A&B)
  • Silibinin (mixture of Silybin A and Silybin B)
  • Silibinin (NSC 651520)
  • Silymarin (Mixture of isomers)
  • (2R,3R)-3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-o ne
  • silybummarianum(linn.)gaertn.,extract
Show all 28 synonyms
  • Silybin ( of silybin A and silybin B)
  • 3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one
  • 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]chroman-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
482.44 g/molcalc.
Exact mass
482.1213 Dacalc.
LogP (octanol/water)
2.36calc.
Topological polar surface area
155.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1CC(c2ccc3c(c2)OC(c2ccccc2)CO3)Oc2ccccc21

O=C1CC(c2ccc3c(c2)OC(c2ccccc2)CO3)Oc2ccccc21

5 rings, 27 atoms.

16 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H361Suspected of damaging fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (7)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Silymarin suppliers

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Where suppliers are based

103 suppliers in 17 countries

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Silymarin 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

Use classes: Cosmetics.

Cosmetic ingredient, INCI name SILYBUM MARIANUM EXTRACT(skin conditioning)

Pharmacological actions

  • Antioxidants
  • Protective Agents

Functional uses

  • Humectant
  • Softener and conditioner

Cosmetic functions

  • Skin conditioning
  • Skin conditioning - emollient
  • Skin protecting

Pharmacology

Silymarin is a mixture of flavonolignans isolated from the milk thistle plant Silybum marianum. Silymarin may act as an antioxidant, protecting hepatic cells from chemotherapy-related free radical damage. This agent may also promote the growth of new hepatic cells. (NCI04)

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Silymarin 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 Silymarin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Silymarin?

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one is a flavonolignan.

What is the CAS number of Silymarin?

The CAS registry number of Silymarin is 65666-07-1. Other or deprecated CAS numbers: 142796-20-1, 22888-70-6, 84604-20-6.

What is the molecular formula and weight of Silymarin?

The molecular formula of Silymarin is C25H22O10 and its molar mass is 482.44 g/mol.

What is Silymarin used for?

Use classes: Cosmetics.

Is Silymarin hazardous?

Silymarin carries the GHS signal word "Warning". Main hazards: suspected of damaging fertility or the unborn child, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Silymarin?

Silymarin 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 Silymarin?

CompoundList lists 103 suppliers of Silymarin in China, United States, India, Spain and 13 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Silymarin in India?

6 suppliers in India list Silymarin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Silymarin?

Suppliers quote Silymarin 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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