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Screening compounds

Drummondin E

Also known as (+)-drummondin E, 2-acetyl-6-{3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]benzyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one, 2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

CAS 138169-54-7Formula C28H34O8Molar mass 498.57 g/mol
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Drummondin E chemical structure, C28H34O8, CAS 138169-54-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
138169-54-7
Formula
C28H34O8
Molar mass
498.57 g/mol
HS code
291450
Category
Screening compounds

What is Drummondin E?

Plain description, key identifiers and synonyms

Drummondin E is a member of the class of resorcinols that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis. It has a role as a metabolite and an antibacterial agent. It is a member of resorcinols, an enol, an aromatic ether, an enone, a methyl ketone and an aromatic ketone. It is functionally related to a filicinic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
CAS number
138169-54-7 CAS number cross-checked
Molecular formula
C28H34O8
InChIKey
ZEDVRLBQCALAJC-UHFFFAOYSA-N
InChI
InChI=1S/C28H34O8/c1-14(2)8-10-28(7)26(34)19(25(33)23(17(6)30)27(28)35)12-18-21(36-11-9-15(3)4)13-20(31)22(16(5)29)24(18)32/h8-9,13,31-34H,10-12H2,1-7H3
SMILES (canonical and isomeric)
CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C=C(C(=C2O)C(=O)C)O)OCC=C(C)C)O)C)C

Synonyms

  • (+)-drummondin E
  • 2-acetyl-6-{3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]benzyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
  • 2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • 2,5-Cyclohexadien-1-one, 2-acetyl-6-((3-acetyl-2,4-dihydroxy-6-((3-methyl-2-butenyl)oxy)phenyl)methyl)-3,5-dihydroxy-4-methyl-4-(3-methyl-2-butenyl)-
  • 2-Acetyl-4-({3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one

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
498.57 g/molcalc.
Exact mass
498.2254 Dacalc.
LogP (octanol/water)
5.35calc.
Topological polar surface area
141.4 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
36calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)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=C1C=CC(Cc2ccccc2)=CC1

O=C1C=CC(Cc2ccccc2)=CC1

2 rings, 14 atoms.

13 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.

Drummondin E suppliers

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Drummondin E 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

  • antibacterial agent
  • antimicrobial agent
  • 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 Drummondin E is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Drummondin E, based on the data on this page

What is Drummondin E?

Drummondin E is a member of the class of resorcinols that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis.

What is the CAS number of Drummondin E?

The CAS registry number of Drummondin E is 138169-54-7.

What is the molecular formula and weight of Drummondin E?

The molecular formula of Drummondin E is C28H34O8 and its molar mass is 498.57 g/mol.

What is Drummondin E used for?

Known uses and roles of Drummondin E include building blocks in research and laboratory, screening compounds in research and laboratory, antibacterial agent, antimicrobial agent and metabolite.

Is Drummondin E hazardous?

No GHS hazard classification for Drummondin 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 Drummondin E?

Drummondin E is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Drummondin E?

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

What is the price of Drummondin E?

Suppliers quote Drummondin 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 Drummondin E

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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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