CompoundList
Sign in
Screening compounds

Cimicifugic acid E

Also known as 2-E-Feruloylpiscidic acid, Cimicifugic acid e, (+)-, Butanedioic acid, 2-hydroxy-3-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-

CAS 219986-67-1Formula C21H20O10Molar mass 432.38 g/mol
Get quotes Safety data
Cimicifugic acid E chemical structure, C21H20O10, CAS 219986-67-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
219986-67-1
Formula
C21H20O10
Molar mass
432.38 g/mol
HS code
291899
Category
Screening compounds

What is Cimicifugic acid E?

Plain description, key identifiers and synonyms

cimicifugic acid e has been reported in Actaea dahurica, Actaea racemosa, and Actaea simplex.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
CAS number
219986-67-1
Molecular formula
C21H20O10
UNII
R8K7J9Q7VA
InChIKey
CAIGUMKGQLGFBR-PZTMCFHLSA-N
InChI
InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1
Canonical SMILES
COc1cc(C=CC(=O)OC(C(=O)O)C(O)(Cc2ccc(O)cc2)C(=O)O)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C(=O)O)[C@](CC2=CC=C(C=C2)O)(C(=O)O)O)O

Synonyms

  • 2-E-Feruloylpiscidic acid
  • Cimicifugic acid e, (+)-
  • Butanedioic acid, 2-hydroxy-3-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-
  • Butanedioic acid, 2-hydroxy-3-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-
  • (2R,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
  • 2-feruloyl piscidic 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
432.38 g/molcalc.
Exact mass
432.1056 Dacalc.
LogP (octanol/water)
1.17calc.
Topological polar surface area
170.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
2calc.
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)OCCCc1ccccc1

O=C(C=Cc1ccccc1)OCCCc1ccccc1

2 rings, 20 atoms, the 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester ring system.

15 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.

Cimicifugic acid E suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Cimicifugic acid E can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Cimicifugic acid 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.

Get latest price

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

Frequently asked questions

Quick answers about Cimicifugic acid E, based on the data on this page

What is Cimicifugic acid E?

cimicifugic acid e has been reported in Actaea dahurica, Actaea racemosa, and Actaea simplex.

What is the CAS number of Cimicifugic acid E?

The CAS registry number of Cimicifugic acid E is 219986-67-1.

What is the molecular formula and weight of Cimicifugic acid E?

The molecular formula of Cimicifugic acid E is C21H20O10 and its molar mass is 432.38 g/mol.

What is Cimicifugic acid E used for?

Known uses and roles of Cimicifugic acid E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cimicifugic acid E hazardous?

No GHS hazard classification for Cimicifugic acid 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 Cimicifugic acid E?

Cimicifugic acid E 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 Cimicifugic acid E?

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

What is the price of Cimicifugic acid E?

Suppliers quote Cimicifugic acid 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 Cimicifugic acid E

Get quotes for Cimicifugic acid E

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Cimicifugic acid E
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Cimicifugic acid E with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/cimicifugic-acid-e-219986-67-1" title="Cimicifugic acid E structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 291899

Price on request
Free quotes, contact stays private
Get quotes