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Heterocyclic compounds

Eugeniin

Also known as 1,2,3-trigalloyl-4,6-hexahydroxydiphenoyl beta-D-glucopyranose, ACon1_001321, 1,2,3-trigalloyl-4,6-HHDP-beta-D-glucopyranoside

CAS 58970-75-5Formula C41H30O26Molar mass 938.67 g/mol
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Eugeniin chemical structure, C41H30O26, CAS 58970-75-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58970-75-5
Formula
C41H30O26
Molar mass
938.67 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Eugeniin?

Plain description, key identifiers and synonyms

Eugeniin is an ellagitannin isolated from the dried flower buds of Eugenia caryophyllata. It exhibits alpha-glucosidase inhibitory activity and antiviral activity against acyclovir and phosphonoacetic acid (PAA)-resistant herpes simplex virus type 1 (HSV-1) as well as the wild-type HSV-1. It has a role as a metabolite, an antineoplastic agent, an antifungal agent, an anti-HSV-1 agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a beta-D-glucoside, an ellagitannin, a lactone and a gallate ester. It is functionally related to a gallic acid. It is a conjugate acid of a tellimagrandin II(2-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
CAS number
58970-75-5Other or deprecated CAS: 1268481-34-0
Molecular formula
C41H30O26
InChIKey
JCGHAEBIBSEQAD-UUUCSUBKSA-N
InChI
InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1
Canonical SMILES
O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Isomeric SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

Synonyms

  • 1,2,3-trigalloyl-4,6-hexahydroxydiphenoyl beta-D-glucopyranose
  • ACon1_001321
  • 1,2,3-trigalloyl-4,6-HHDP-beta-D-glucopyranoside
  • beta-D-Glucopyranose,cyclic4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)1,2,3-tris(3,4,5-trihydroxybenzoate)

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
938.67 g/molcalc.
Exact mass
938.1025 Dacalc.
LogP (octanol/water)
1.67calc.
Topological polar surface area
444.2 Ųcalc.
Hydrogen bond donors
15calc.
Hydrogen bond acceptors
26calc.
Rotatable bonds
6calc.
Heavy atoms
67calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.15calc.
Formal charge
0calc.
Stereocentres
5calc.
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(OC1OC2COC(=O)c3ccccc3-c3ccccc3C(=O)OC2C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

O=C(OC1OC2COC(=O)c3ccccc3-c3ccccc3C(=O)OC2C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

7 rings, 52 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.

Eugeniin suppliers

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Eugeniin 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

  • anti-HSV agent
  • anti-HSV-1 agent
  • antifungal agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • enzyme inhibitor
  • metabolite
  • pharmaceutical

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 Eugeniin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Eugeniin?

Eugeniin is an ellagitannin isolated from the dried flower buds of Eugenia caryophyllata. It exhibits alpha-glucosidase inhibitory activity and antiviral activity against acyclovir and phosphonoacetic acid (PAA)-resistant herpes simplex virus type 1 (HSV-1) as well as the wild-type HSV-1.

What is the CAS number of Eugeniin?

The CAS registry number of Eugeniin is 58970-75-5. Other or deprecated CAS numbers: 1268481-34-0.

What is the molecular formula and weight of Eugeniin?

The molecular formula of Eugeniin is C41H30O26 and its molar mass is 938.67 g/mol.

What is Eugeniin used for?

Known uses and roles of Eugeniin include anti-hsv agent, anti-hsv-1 agent, antifungal agent, antimicrobial agent, antineoplastic agent and 4 more.

Is Eugeniin hazardous?

No GHS hazard classification for Eugeniin 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 Eugeniin?

Eugeniin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eugeniin?

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What is the price of Eugeniin?

Suppliers quote Eugeniin 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 Eugeniin

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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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