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Screening compounds

Avenanthramide C

Also known as Avenanthramide BC, Benzoic acid, 2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-5-hydroxy-, 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid

CAS 116764-15-9Formula C16H13NO6Molar mass 315.28 g/molEC 806-389-0
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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Avenanthramide C chemical structure, C16H13NO6, CAS 116764-15-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
116764-15-9
Formula
C16H13NO6
Molar mass
315.28 g/mol
EC number
806-389-0
HS code
292429
Category
Screening compounds

What is Avenanthramide C?

Plain description, key identifiers and synonyms

2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid is an alkaloid and a member of benzamides.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
CAS number
116764-15-9 CAS number cross-checkedOther or deprecated CAS: 917224-51-2
EC number
806-389-0
Molecular formula
C16H13NO6
UNII
5FRF61BOYU
InChIKey
IDUUXROOZBOOPH-QHHAFSJGSA-N
InChI
InChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(O)cc1C(=O)O
Isomeric SMILES
C1=CC(=C(C=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O)O

Synonyms

  • Avenanthramide BC
  • Benzoic acid, 2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-5-hydroxy-
  • 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
  • 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoic acid
  • 2-(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)amino)-5-hydroxybenzoic acid
  • 2-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido)-5-hydroxybenzoic acid
  • Avenanthramide 2C
  • Avenanthramide
  • (E)-2-(3-(3,4-Dihydroxyphenyl)acrylamido)-5-hydroxybenzoic acid
  • 2-[3-(3,4-Dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoic acid
  • N-(3',4'-dihydroxycinnamoyl)-5-hydroxyanthranilic acid
  • Avenanthramide-c
  • 2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]amino]-5-hydroxybenzoic Acid, Avenanthramide 2c, Avenanthramide Bc
  • Avenanthramide C, analytical standard
  • 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxy-benzoic Acid
  • N-(3,4-Dihydroxycinnamoyl)-5-hydroxyanthranilic acid
  • N-(3,4-dihydroxy)-(e)-cinnamoyl-5-hydroxyanthranilic acid
  • 2-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoate
  • 2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid

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
315.28 g/molcalc.
Exact mass
315.0743 Dacalc.
LogP (octanol/water)
2.15calc.
Topological polar surface area
127.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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)Nc1ccccc1

O=C(C=Cc1ccccc1)Nc1ccccc1

2 rings, 17 atoms.

1,928 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.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

Avenanthramide C suppliers

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

All 2 suppliers
  • EvitaChem
    China, BeijingUnclaimed profile
    Avenanthramide CGrade, purity and minimum order on request
    Price on request
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  • Veeprho
    Czech Republic, Czech RepublicUnclaimed profile
    Avenanthramide CGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Avenanthramide C price

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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 Avenanthramide C is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Avenanthramide C, based on the data on this page

What is Avenanthramide C?

2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid is an alkaloid and a member of benzamides.

What is the CAS number of Avenanthramide C?

The CAS registry number of Avenanthramide C is 116764-15-9. Other or deprecated CAS numbers: 917224-51-2.

What is the molecular formula and weight of Avenanthramide C?

The molecular formula of Avenanthramide C is C16H13NO6 and its molar mass is 315.28 g/mol.

What is Avenanthramide C used for?

Known uses and roles of Avenanthramide C include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Avenanthramide C hazardous?

Avenanthramide C carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Avenanthramide C?

Avenanthramide C is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avenanthramide C?

CompoundList lists 2 suppliers of Avenanthramide C in China and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Avenanthramide C?

Suppliers quote Avenanthramide C on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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