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Heterocyclic building blocks

Nigerapyrone E

Also known as 4-methoxy-3-methyl-6-[(1E)-3-oxobut-1-en-1-yl]-2H-pyran-2-one, 4-Methoxy-3-methyl-6-[(1E)-3-oxo-1-buten-1-yl]-2H-pyran-2-one

CAS 1318240-76-4Formula C11H12O4Molar mass 208.21 g/mol
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Nigerapyrone E chemical structure, C11H12O4, CAS 1318240-76-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1318240-76-4
Formula
C11H12O4
Molar mass
208.21 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Nigerapyrone E?

Plain description, key identifiers and synonyms

Nigerapyrone E is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger. It has a role as an antineoplastic agent and an Aspergillus metabolite. It is a methyl ketone and a member of 2-pyranones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-methoxy-3-methyl-6-[(E)-3-oxobut-1-enyl]pyran-2-one
CAS number
1318240-76-4
Molecular formula
C11H12O4
InChIKey
ZYAUSSMPHVTIRL-SNAWJCMRSA-N
InChI
InChI=1S/C11H12O4/c1-7(12)4-5-9-6-10(14-3)8(2)11(13)15-9/h4-6H,1-3H3/b5-4+
Canonical SMILES
COc1cc(C=CC(C)=O)oc(=O)c1C
Isomeric SMILES
CC1=C(C=C(OC1=O)/C=C/C(=O)C)OC

Synonyms

  • 4-methoxy-3-methyl-6-[(1E)-3-oxobut-1-en-1-yl]-2H-pyran-2-one
  • 4-Methoxy-3-methyl-6-[(1E)-3-oxo-1-buten-1-yl]-2H-pyran-2-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
208.21 g/molcalc.
Exact mass
208.0736 Dacalc.
LogP (octanol/water)
1.56calc.
Topological polar surface area
56.51 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.27calc.
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=c1cccco1

O=c1cccco1

1 ring, 7 atoms, the 2H-Pyran-2-one ring system.

509 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Nigerapyrone E suppliers

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

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Nigerapyrone E price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Aspergillus metabolite
  • antineoplastic agent
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • pharmaceutical

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

Frequently asked questions

Quick answers about Nigerapyrone E, based on the data on this page

What is Nigerapyrone E?

Nigerapyrone E is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.

What is the CAS number of Nigerapyrone E?

The CAS registry number of Nigerapyrone E is 1318240-76-4.

What is the molecular formula and weight of Nigerapyrone E?

The molecular formula of Nigerapyrone E is C11H12O4 and its molar mass is 208.21 g/mol.

What is Nigerapyrone E used for?

Known uses and roles of Nigerapyrone E include building blocks in research and laboratory, screening compounds in research and laboratory, aspergillus metabolite, antineoplastic agent, eukaryotic metabolite and 3 more.

Is Nigerapyrone E hazardous?

No GHS hazard classification for Nigerapyrone E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nigerapyrone E?

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

Where can I buy Nigerapyrone E?

Post a free request on CompoundList and suppliers of Nigerapyrone E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nigerapyrone E?

Suppliers quote Nigerapyrone E 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 Nigerapyrone E

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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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