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Flavonoids and polyphenols

Dehydrosilybin

Also known as 3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one, 2,3-Dehydrosilybin, 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one

CAS 25166-14-7Formula C25H20O10Molar mass 480.43 g/molEC 110-052-7
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Dehydrosilybin chemical structure, C25H20O10, CAS 25166-14-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
25166-14-7
Formula
C25H20O10
Molar mass
480.43 g/mol
EC number
110-052-7
HS code
293299
Category
Flavonoids and polyphenols

What is Dehydrosilybin?

Plain description, key identifiers and synonyms

2,3-Dehydrosilybin has been reported in Silybum marianum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
CAS number
25166-14-7 CAS number cross-checked
EC number
110-052-7
Molecular formula
C25H20O10
UNII
YT9LPK42UU
InChIKey
BVKQRAYKLBRNIK-HYBUGGRVSA-N
InChI
InChI=1S/C25H20O10/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/h2-9,20,24,26-29,31H,10H2,1H3/t20-,24-/m1/s1
Canonical SMILES
COc1cc(C2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

Synonyms

  • 3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
  • 2,3-Dehydrosilybin
  • 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
  • 2,3-Dehydrosilybin A
  • 3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-chromen-4-one
  • 2-((2R,3R)-2-(Hydroxymethyl)-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5,7-tris(oxidanyl)chromen-4-one
  • 2-[(2R,3R)-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • 3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-

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
480.43 g/molcalc.
Exact mass
480.1056 Dacalc.
LogP (octanol/water)
3.16calc.
Topological polar surface area
159.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.16calc.
Formal charge
0calc.
Stereocentres
2calc.
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)oc2ccccc12

O=c1cc(-c2ccc3c(c2)OC(c2ccccc2)CO3)oc2ccccc12

5 rings, 27 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

Dehydrosilybin suppliers

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Where suppliers are based

1 supplier in 1 country

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Dehydrosilybin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Dehydrosilybin?

2,3-Dehydrosilybin has been reported in Silybum marianum.

What is the CAS number of Dehydrosilybin?

The CAS registry number of Dehydrosilybin is 25166-14-7.

What is the molecular formula and weight of Dehydrosilybin?

The molecular formula of Dehydrosilybin is C25H20O10 and its molar mass is 480.43 g/mol.

Is Dehydrosilybin hazardous?

Dehydrosilybin carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dehydrosilybin?

Dehydrosilybin 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 Dehydrosilybin?

CompoundList lists 1 supplier of Dehydrosilybin 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 Dehydrosilybin?

Suppliers quote Dehydrosilybin 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 Dehydrosilybin

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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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