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Screening compounds

Vaccihein A

Also known as 3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl 4-hydroxy-3,5-dimethoxybenzoate, Methyl 2-(3,5-dimethoxy-4-hydroxybenzoyloxy)-4,6-dihydroxyphenyl acetate, [3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl] 4-hydroxy-3,5-dimethoxybenzoate

CAS 481701-61-5Formula C18H18O9Molar mass 378.33 g/mol
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Vaccihein A chemical structure, C18H18O9, CAS 481701-61-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
481701-61-5
Formula
C18H18O9
Molar mass
378.33 g/mol
HS code
291899
Category
Screening compounds

What is Vaccihein A?

Plain description, key identifiers and synonyms

Vaccihein A is a benzoate ester that is methyl (2,4-dihydroxyphenyl)acetate attached to a (4-hydroxy-3,5-dimethoxybenzoyl)oxy group. Isolated from Vaccinium ashei, it exhibits antioxidant activity. It has a role as an antioxidant and a metabolite. It is a methyl ester, a member of resorcinols, a benzoate ester and a dimethoxybenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl] 4-hydroxy-3,5-dimethoxybenzoate
CAS number
481701-61-5
Molecular formula
C18H18O9
InChIKey
HTYXVCATPMWMSN-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O9/c1-24-14-4-9(5-15(25-2)17(14)22)18(23)27-13-7-10(19)6-12(20)11(13)8-16(21)26-3/h4-7,19-20,22H,8H2,1-3H3
SMILES (canonical and isomeric)
COC1=CC(=CC(=C1O)OC)C(=O)OC2=CC(=CC(=C2CC(=O)OC)O)O

Synonyms

  • 3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl 4-hydroxy-3,5-dimethoxybenzoate
  • Methyl 2-(3,5-dimethoxy-4-hydroxybenzoyloxy)-4,6-dihydroxyphenyl acetate
  • [3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl] 4-hydroxy-3,5-dimethoxybenzoate
  • (3,5-dihydroxy-2-(2-methoxy-2-oxoethyl)phenyl) 4-hydroxy-3,5-dimethoxybenzoate
  • Methyl 2-(3,5-dimethoxy-4-hydroxybenzoyloxy)-4,6-dihydroxyphenyl acetic 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
378.33 g/molcalc.
Exact mass
378.0951 Dacalc.
LogP (octanol/water)
1.76calc.
Topological polar surface area
131.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.22calc.
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(Oc1ccccc1)c1ccccc1

O=C(Oc1ccccc1)c1ccccc1

2 rings, 15 atoms, the Phenyl benzoate ring system.

2,426 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.

Vaccihein A suppliers

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Vaccihein 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

Roles

  • antioxidant
  • 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 Vaccihein 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 Vaccihein A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Vaccihein A?

Vaccihein A is a benzoate ester that is methyl (2,4-dihydroxyphenyl)acetate attached to a (4-hydroxy-3,5-dimethoxybenzoyl)oxy group. Isolated from Vaccinium ashei, it exhibits antioxidant activity. It has a role as an antioxidant and a metabolite.

What is the CAS number of Vaccihein A?

The CAS registry number of Vaccihein A is 481701-61-5.

What is the molecular formula and weight of Vaccihein A?

The molecular formula of Vaccihein A is C18H18O9 and its molar mass is 378.33 g/mol.

What is Vaccihein A used for?

Known uses and roles of Vaccihein A include building blocks in research and laboratory, screening compounds in research and laboratory, antioxidant and metabolite.

Is Vaccihein A hazardous?

No GHS hazard classification for Vaccihein 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 Vaccihein A?

Vaccihein 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 Vaccihein A?

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

What is the price of Vaccihein A?

Suppliers quote Vaccihein 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 Vaccihein 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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