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Carboxylic acids and anhydrides

Cynarine

Also known as Cynarin, Cinarine, Cinarin

CAS 1884-24-8Formula C25H24O12Molar mass 516.46 g/molEC 815-081-5
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Cynarine chemical structure, C25H24O12, CAS 1884-24-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1884-24-8
Formula
C25H24O12
Molar mass
516.46 g/mol
EC number
815-081-5
HS code
291829
Category
Carboxylic acids and anhydrides

What is Cynarine?

Plain description, key identifiers and synonyms

1,3-dicaffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. It has a role as a plant metabolite. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a 1,3-dicaffeoylquinate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
CAS number
1884-24-8Other or deprecated CAS: 1884-23-7, 19870-46-3, 212891-05-9, 30964-13-7
EC number
815-081-5
Molecular formula
C25H24O12
UNII
85D81U9JAV
InChIKey
YDDUMTOHNYZQPO-RVXRWRFUSA-N
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)OC1CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC(O)C1O
Isomeric SMILES
C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O

Synonyms

  • Cynarin
  • Cinarine
  • Cinarin
  • Plemocil
  • Listrocol
  • 1,3-Dicqa
  • (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
  • Caffeic acid 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester
  • 1-carboxy-4,5-dihydroxy-1,3-cyclohexylenebis-(3,4-dihydroxycinnamate)
  • 3,4-Dihydroxycinnamic acid 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester
  • 3,4-Dihydroxycinnamic acid, 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester
  • (1R,3R,4S,5R)-1,3-Bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,5-dihydroxycyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 1,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,5-dihydroxy-, (1R,3R,4S,5R)-
  • (1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid
  • (1R-(1alpha,3alpha,4alpha,5beta))-1,3-Bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-4,5-dihydroxycyclohexanecarboxylic acid
  • cynarinum
  • cynarix
  • (1R,3R,4S,5R)-1,3-bis(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid
  • 1,3-Dicaffeoylquinic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts)
  • Cinarina
  • 1,3-Dicaffeoylquinic acid
  • (1R,3R,4S,5R)-1,3-Bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexanecarboxylic acid
  • 1,5-di-O-Caffeoylquinic acid
  • (1R,3R,4S,5R)-1,3-bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid
  • 1,3-O-Dicaffeoylquinic acid
Show all 33 synonyms
  • Cyclohexanecarboxylic acid,1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-,(1R,3R,4S,5R)-
  • 1,5-DQA
  • Phemocil
  • (1R,3R,4S,5R)-1,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylic acid
  • 1,5-Dicaffeoylqunic acid
  • Quinic acid 1,5-dicaffeic ester
  • (E)-Cynarin
  • Cynarin (Standard)

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
516.46 g/molcalc.
Exact mass
516.1268 Dacalc.
LogP (octanol/water)
1.03calc.
Topological polar surface area
211.3 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
7calc.
Heavy atoms
37calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (3 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)OC1CCCC(OC(=O)C=Cc2ccccc2)C1

O=C(C=Cc1ccccc1)OC1CCCC(OC(=O)C=Cc2ccccc2)C1

3 rings, 28 atoms.

22 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.

Cynarine suppliers

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All 12 suppliers
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Where suppliers are based

12 suppliers in 4 countries

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Cynarine price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Cholagogues and Choleretics

Roles

  • eukaryotic metabolite
  • metabolite
  • plant 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 Cynarine is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Cynarine?

1,3-dicaffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. It has a role as a plant metabolite. It is a quinic acid and an alkyl caffeate ester.

What is the CAS number of Cynarine?

The CAS registry number of Cynarine is 1884-24-8. Other or deprecated CAS numbers: 1884-23-7, 19870-46-3, 212891-05-9.

What is the molecular formula and weight of Cynarine?

The molecular formula of Cynarine is C25H24O12 and its molar mass is 516.46 g/mol.

What is Cynarine used for?

Known uses and roles of Cynarine include eukaryotic metabolite, metabolite, plant metabolite and cholagogues and choleretics.

Is Cynarine hazardous?

No GHS hazard classification for Cynarine 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 Cynarine?

Cynarine is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cynarine?

CompoundList lists 12 suppliers of Cynarine in China, France, Thailand and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cynarine?

Suppliers quote Cynarine 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 Cynarine

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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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