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Heterocyclic building blocks

Isoimperatorin

Also known as Iso-imperatorin, 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one, 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one

CAS 482-45-1Formula C16H14O4Molar mass 270.28 g/molEC 801-715-8
GHS signal word: Warning. Pictograms: Harmful or irritant 15 suppliers listed
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Isoimperatorin chemical structure, C16H14O4, CAS 482-45-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
482-45-1
Formula
C16H14O4
Appearance
Off-white, light brown solid
Melting point
98 to 100
HS code
293220
Category
Heterocyclic building blocks
Illustrative photo, off-white crystalline powder in an HDPE jar on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Isoimperatorin?

Plain description, key identifiers and synonyms

Isoimperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. 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
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
CAS number
482-45-1 CAS number cross-checked
EC number
801-715-8
Molecular formula
C16H14O4
UNII
0ZMV066080
MDL number
MFCD00272155
InChIKey
IGWDEVSBEKYORK-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
SMILES (canonical and isomeric)
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C

Synonyms

  • Iso-imperatorin
  • 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
  • 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
  • 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-
  • 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one
  • 4-(3-methylbut-2-enoxy)furo(3,2-g)chromen-7-one
  • 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo(3,2-g)chromen-7-one
  • 7,4-((3-methyl-2-butenyl)oxy)-7H-furo(3,2-g)-1-benzopyran-7-one
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-
  • Iso Imperatorin
  • 4-Prenyloxypsoralen
  • Isoimperatorin (Standard)
  • 4-((3-meth
  • ACon1_000176
  • Isoimperatorin, analytical standard
  • 4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #
  • 4-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
  • 4-[(3-Methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-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

Appearance
Off-white, light brown solidexp.
Melting point
98 to 100exp.

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

Isoimperatorin suppliers

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

All 15 suppliers
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Where suppliers are based

15 suppliers in 3 countries

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Isoimperatorin 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

Laboratory chemicals, manufacture of substances.

Roles

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

Frequently asked questions

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

What is Isoimperatorin?

Isoimperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. 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 Isoimperatorin?

The CAS registry number of Isoimperatorin is 482-45-1.

What is the molecular formula and weight of Isoimperatorin?

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

What is Isoimperatorin used for?

Laboratory chemicals, manufacture of substances.

Is Isoimperatorin hazardous?

Isoimperatorin 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 Isoimperatorin?

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

Where can I buy Isoimperatorin?

CompoundList lists 15 suppliers of Isoimperatorin in China, United States and Hong Kong. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isoimperatorin?

Suppliers quote Isoimperatorin 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 Isoimperatorin

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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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