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Screening compounds

Samaderine E

Also known as 14-epi-samaderine E, (1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione, (1beta,11beta,12alpha)-1,11,12,14-tetrahydroxy-13,20-epoxypicras-3-ene-2,16-dione

CAS 64356-67-8Formula C20H26O8Molar mass 394.42 g/mol
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Samaderine E chemical structure, C20H26O8, CAS 64356-67-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64356-67-8
Formula
C20H26O8
Molar mass
394.42 g/mol
HS code
293220
Category
Screening compounds

What is Samaderine E?

Plain description, key identifiers and synonyms

Samaderine E is a quassinoid isolated from Quassia indica and Samadera indica and has been shown to exhibit antimalarial and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent and an antimalarial. It is a delta-lactone, a secondary alpha-hydroxy ketone, a tertiary alcohol, a tetrol, a secondary alcohol, a cyclic ether, an organic heteropentacyclic compound, an enone and a quassinoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
CAS number
64356-67-8 CAS number cross-checked
Molecular formula
C20H26O8
InChIKey
MGGPOESVKAWHRB-KZOVRTNRSA-N
InChI
InChI=1S/C20H26O8/c1-8-4-10(21)15(24)17(2)9(8)5-11-19-7-27-18(3,16(25)13(23)14(17)19)20(19,26)6-12(22)28-11/h4,9,11,13-16,23-26H,5-7H2,1-3H3/t9-,11+,13+,14+,15+,16-,17-,18+,19+,20+/m0/s1
Canonical SMILES
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)CC3(O)C4(C)OCC13C2C(O)C4O
Isomeric SMILES
CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4(CC(=O)O3)O)(OC5)C)O)O)C)O

Synonyms

  • 14-epi-samaderine E
  • (1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
  • (1beta,11beta,12alpha)-1,11,12,14-tetrahydroxy-13,20-epoxypicras-3-ene-2,16-dione
  • (1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-ene-4,11-dione
  • Samaderine (b619376k034)
  • 1beta,11beta,12alpha,14-Tetrahydroxy-13beta-13,20-epoxypicras-3-ene-2,16-dione

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
394.42 g/molcalc.
Exact mass
394.1628 Dacalc.
LogP (octanol/water)
-0.92calc.
Topological polar surface area
133.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
0calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
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.

Samaderine E suppliers

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Samaderine 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

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

Frequently asked questions

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

What is Samaderine E?

Samaderine E is a quassinoid isolated from Quassia indica and Samadera indica and has been shown to exhibit antimalarial and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent and an antimalarial.

What is the CAS number of Samaderine E?

The CAS registry number of Samaderine E is 64356-67-8.

What is the molecular formula and weight of Samaderine E?

The molecular formula of Samaderine E is C20H26O8 and its molar mass is 394.42 g/mol.

What is Samaderine E used for?

Known uses and roles of Samaderine E 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 Samaderine E hazardous?

No GHS hazard classification for Samaderine 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 Samaderine E?

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

Where can I buy Samaderine E?

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

What is the price of Samaderine E?

Suppliers quote Samaderine 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 Samaderine 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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