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Impurities and reference standards

Xanthohumol

Also known as Xantho-flav, (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one, (2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

CAS 6754-58-1Formula C21H22O5Molar mass 354.40 g/molEC 614-078-4
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 26 suppliers listed
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Xanthohumol chemical structure, C21H22O5, CAS 6754-58-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6754-58-1
Formula
C21H22O5
Molar mass
354.40 g/mol
EC number
614-078-4
HS code
291450
Category
Impurities and reference standards

What is Xanthohumol?

Plain description, key identifiers and synonyms

Xanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. It has a role as an antiviral agent, a metabolite, an antineoplastic agent, an EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor, an anti-HIV-1 agent and an apoptosis inducer. It is a member of chalcones, a polyphenol and an aromatic ether. It is a conjugate acid of a xanthohumol(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CAS number
6754-58-1 CAS number cross-checked
EC number
614-078-4
Molecular formula
C21H22O5
UNII
T4467YT1NT
MDL number
MFCD00210576
INCI name
XANTHOHUMOL
InChIKey
ORXQGKIUCDPEAJ-YRNVUSSQSA-N
InChI
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
SMILES
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C

Synonyms

  • Xantho-flav
  • (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
  • 2-Propen-1-one, 1-(2,4-hydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-, (E)-
  • (2E)-1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
  • (E)-1-(2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
  • XanthoFlav
  • (2E)-1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 3'-(3,3-Dimethyl allyl)-2',4',4-trihydroxy-6'-methoxychalcone
  • (E/Z)-Xanthohumol
  • 1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone
  • (E)-1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
  • Xanthohumol, primary pharmaceutical reference standard
  • Xanthohumol?
  • (E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • Xanthohumol [M+H]+
  • Xanthohumol (Standard)
  • Xanthohumol(RandomConfiguration)
  • ACon1_001634
  • Xanthohumol(Random Configuration)
  • (E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)propenone
  • US20250213569, Compound 58
Show all 30 synonyms
  • 2',4',4-trihydroxy-6'-methoxy-3'-prenylchalcone
  • 2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-
  • Xanthohumol from hop (Humulus lupulus), >=96% (HPLC)
  • 1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
  • 2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-

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
354.40 g/molcalc.
Exact mass
354.1467 Dacalc.
LogP (octanol/water)
4.22calc.
Topological polar surface area
86.99 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
26calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.19calc.
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=C(C=Cc1ccccc1)c1ccccc1

O=C(C=Cc1ccccc1)c1ccccc1

2 rings, 16 atoms.

2,316 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
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H317May cause an allergic skin reaction.
  • H400Very toxic to aquatic life.
Precautionary statements (10)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • 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

Xanthohumol suppliers

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Where suppliers are based

26 suppliers in 7 countries

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Xanthohumol 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

Cosmetic ingredient, INCI name XANTHOHUMOL(skin conditioning)

Pharmacological actions

  • Angiogenesis Inhibitors
  • Antineoplastic Agents

Roles

  • anti-HIV agent
  • anti-HIV-1 agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • apoptosis inducer
  • enzyme inhibitor
  • metabolite
  • pharmaceutical

Functional uses

  • Softener and conditioner

Cosmetic functions

  • Skin conditioning

Pharmacology

Xanthohumol is a prenylated flavonoid derived from the female flowers of the hops plant (Humulus lupulus L), with potential chemopreventive and antineoplastic activities. Upon administration, xanthohumol scavenges reactive oxygen species (ROS), thereby preventing DNA damage due to oxidative stress. In addition, xanthohumol is able to increase the expression of phase II cytoprotective enzymes, thereby inactivating carcinogens. This agent exerts anti-inflammatory activity, through the inhibition of inflammation-inducing enzymes, inhibits DNA synthesis, and induces apoptosis of susceptible cancer cells. Xanthohumol also decreases the expression of C-X-C chemokine receptor 4 (CXCR4), thereby preventing cancer cell invasion.

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 Xanthohumol is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Xanthohumol?

Xanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.

What is the CAS number of Xanthohumol?

The CAS registry number of Xanthohumol is 6754-58-1.

What is the molecular formula and weight of Xanthohumol?

The molecular formula of Xanthohumol is C21H22O5 and its molar mass is 354.40 g/mol.

What is Xanthohumol used for?

Known uses and roles of Xanthohumol include skin conditioning agents in cosmetics and personal care, anti-hiv agent, anti-hiv-1 agent, antimicrobial agent, antineoplastic agent and 9 more.

Is Xanthohumol hazardous?

Xanthohumol carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction, very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Xanthohumol?

Xanthohumol is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xanthohumol?

CompoundList lists 26 suppliers of Xanthohumol in United States, China, Germany, Switzerland and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Xanthohumol in India?

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

What is the price of Xanthohumol?

Suppliers quote Xanthohumol 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 Xanthohumol

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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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