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Heterocyclic building blocks

Imperatorin

Also known as Ammidin, Marmelosin, Pentosalen

CAS 482-44-0Formula C16H14O4Molar mass 270.28 g/molEC 207-581-1
GHS signal word: Warning. Pictograms: Harmful or irritant 53 suppliers listed
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Imperatorin chemical structure, C16H14O4, CAS 482-44-0
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Prisms from ether, long needles from hot water
Melting point
102 °C
Solubility
Slightly soluble in water
HS code
293220
Category
Heterocyclic building blocks
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Imperatorin?

Plain description, key identifiers and synonyms

Imperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
CAS number
482-44-0 CAS number cross-checked
EC number
207-581-1
Molecular formula
C16H14O4
UNII
K713N25C78
MDL number
MFCD00016881
InChIKey
OLOOJGVNMBJLLR-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
SMILES (canonical and isomeric)
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C

Synonyms

  • Ammidin
  • Marmelosin
  • Pentosalen
  • 8-Isoamylenoxypsoralen
  • 8-Isopentenyloxypsoralene
  • 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
  • 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one
  • 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-
  • 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
  • 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-
  • 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone
  • 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one
  • 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one
  • 9-(3-methylbut-2-enoxy)furo(3,2-g)chromen-7-one
  • 9-((3-methyl-2-butenyl)oxy)-7H-furo(3,2-g)-1-benzopyran-7-one
  • 9-((3-methylbut-2-en-1-yl)oxy)-2H-furo(3,2-g)chromen-2-one
  • 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo(3,2-g)chromen-7-one
  • 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-
  • 6-Hydroxy-7-(3-Methyl-2-Butenyloxy)-5-Benzofuranacrylic Acid Gamma-Lactone
  • Marmelide
  • 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
  • 9-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
Show all 34 synonyms
  • 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one
  • 9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one
  • Marmelide,
  • Ammidin,
  • Imperatorin CRS
  • Pentasalen, BAN
  • 8-Prenyloxypsoralen
  • Imperatorin (Standard)
  • 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone

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

Appearance
Prisms from ether, long needles from hot waterexp.
Melting point
102 °Cexp.
Solubility
Slightly soluble in waterexp.

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
270.28 g/molcalc.
Exact mass
270.0892 Dacalc.
LogP (octanol/water)
3.88calc.
Topological polar surface area
52.58 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
3calc.
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=c1ccc2cc3ccoc3cc2o1

O=c1ccc2cc3ccoc3cc2o1

3 rings, 14 atoms, the Psoralen ring system.

431 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.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (21)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Imperatorin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 53 suppliers
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Where suppliers are based

53 suppliers in 10 countries

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Imperatorin 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

Pharmacological actions

  • Antioxidants

Roles

  • enzyme inhibitor
  • metabolite

How it is made

From roots of Imperatoria osthruthium L., Umbelliferae ... from seeds of Angelica archangelica L. ... from fruit of Pastinaca sativa L., Umbelliferae.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Imperatorin (9-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one), Ref no: 34, Annex ref: II/34

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Imperatorin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Imperatorin?

Imperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.

What is the CAS number of Imperatorin?

The CAS registry number of Imperatorin is 482-44-0.

What is the molecular formula and weight of Imperatorin?

The molecular formula of Imperatorin is C16H14O4 and its molar mass is 270.28 g/mol.

What is Imperatorin used for?

Known uses and roles of Imperatorin include building blocks in research and laboratory, screening compounds in research and laboratory, enzyme inhibitor, metabolite and antioxidants.

Is Imperatorin hazardous?

Imperatorin carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Imperatorin?

Imperatorin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Imperatorin?

CompoundList lists 53 suppliers of Imperatorin in China, United States, Germany, United Kingdom and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Imperatorin?

Suppliers quote Imperatorin 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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