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Screening compounds

Bruceolide

Also known as Methyl (11beta,12alpha,15beta)-13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxopicras-3-en-21-oate, Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-, methyl (11beta,12alpha,15beta)-3,11,12,15-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

CAS 25514-28-7Formula C21H26O10Molar mass 438.43 g/mol
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Bruceolide chemical structure, C21H26O10, CAS 25514-28-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
25514-28-7
Formula
C21H26O10
Molar mass
438.43 g/mol
HS code
293220
Category
Screening compounds

What is Bruceolide?

Plain description, key identifiers and synonyms

Bruceolide is a quassinoid isolated from Brucea javanica and Brucea sumatrana and has been shown to exhibit antimalarial activity. It has a role as a metabolite, an antineoplastic agent and an antimalarial. It is a delta-lactone, a methyl ester, a tetrol, an enol, a cyclic ether, an organic heteropentacyclic compound, an enone and a quassinoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3,10,15,16-tetrahydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
CAS number
25514-28-7 CAS number cross-checked
Molecular formula
C21H26O10
InChIKey
YLWQKYSDNGHLAO-PWRINDRCSA-N
InChI
InChI=1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1
Canonical SMILES
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(O)C24
Isomeric SMILES
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)O

Synonyms

  • Methyl (11beta,12alpha,15beta)-13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxopicras-3-en-21-oate
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
  • methyl (11beta,12alpha,15beta)-3,11,12,15-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester,(11beta,12alpha,15beta)-
  • Methyl 3,11beta,12alpha,15beta-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

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
438.43 g/molcalc.
Exact mass
438.1526 Dacalc.
LogP (octanol/water)
-1calc.
Topological polar surface area
159.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
1calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1C=CC2CC3OC(=O)CC4C5CCC(C2C1)C34CO5

O=C1C=CC2CC3OC(=O)CC4C5CCC(C2C1)C34CO5

5 rings, 21 atoms.

37 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.

Bruceolide suppliers

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Bruceolide price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antiinfective agent
  • antimalarial
  • antimicrobial agent
  • antimicrobial drug
  • antineoplastic agent
  • antiparasitic agent
  • antiplasmodial drug
  • antiprotozoal drug
  • 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 Bruceolide 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 Bruceolide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bruceolide?

Bruceolide is a quassinoid isolated from Brucea javanica and Brucea sumatrana and has been shown to exhibit antimalarial activity. It has a role as a metabolite, an antineoplastic agent and an antimalarial.

What is the CAS number of Bruceolide?

The CAS registry number of Bruceolide is 25514-28-7.

What is the molecular formula and weight of Bruceolide?

The molecular formula of Bruceolide is C21H26O10 and its molar mass is 438.43 g/mol.

What is Bruceolide used for?

Known uses and roles of Bruceolide include cooling agents in flavors and fragrances, building blocks in research and laboratory, screening compounds in research and laboratory, antiinfective agent, antimalarial and 8 more.

Is Bruceolide hazardous?

No GHS hazard classification for Bruceolide 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 Bruceolide?

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

Where can I buy Bruceolide?

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

What is the price of Bruceolide?

Suppliers quote Bruceolide 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 Bruceolide

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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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