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Screening compounds

Calebin A

Also known as (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-butenyl ester, (2E)-

CAS 336784-82-8Formula C21H20O7Molar mass 384.38 g/mol
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Calebin A chemical structure, C21H20O7, CAS 336784-82-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
336784-82-8
Formula
C21H20O7
Molar mass
384.38 g/mol
HS code
291899
Category
Screening compounds

What is Calebin A?

Plain description, key identifiers and synonyms

Calebin A is a hydroxycinnamic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CAS number
336784-82-8
Molecular formula
C21H20O7
UNII
U2M09W0E67
InChIKey
UYEWRTKHKAVRDI-ASVGJQBISA-N
InChI
InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
Canonical SMILES
COc1cc(C=CC(=O)COC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O

Synonyms

  • (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-butenyl ester, (2E)-
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-buten-1-yl ester, (2E)-
  • ((E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • Calebin-A
  • (E)-(E)-4-(4-Hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate
  • Calebi a
  • (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
  • 3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid 4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl ester
  • 4''-(3'''-Methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl 3-(3'-methoxy-4'-hydroxyphenyl)propenoate
  • 4''-(3'''-Methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl-3-(3'-methoxy-4'-hydroxyphenyl)propenoate

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
384.38 g/molcalc.
Exact mass
384.1209 Dacalc.
LogP (octanol/water)
2.95calc.
Topological polar surface area
102.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
8calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.14calc.
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)COC(=O)C=Cc1ccccc1

O=C(C=Cc1ccccc1)COC(=O)C=Cc1ccccc1

2 rings, 22 atoms.

1 other chemical 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.

Calebin A suppliers

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Calebin A 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

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 Calebin A is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Calebin A, based on the data on this page

What is Calebin A?

Calebin A is a hydroxycinnamic acid.

What is the CAS number of Calebin A?

The CAS registry number of Calebin A is 336784-82-8.

What is the molecular formula and weight of Calebin A?

The molecular formula of Calebin A is C21H20O7 and its molar mass is 384.38 g/mol.

What is Calebin A used for?

Known uses and roles of Calebin A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Calebin A hazardous?

No GHS hazard classification for Calebin A 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 Calebin A?

Calebin A is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calebin A?

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

What is the price of Calebin A?

Suppliers quote Calebin A 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 Calebin A

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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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