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Steroids and sterols

Colocynthin

Also known as Coloside A, Gratiotoxin, alpha-Elaterin 2-D-glucopyranoside

CAS 1398-78-3Formula C38H54O13Molar mass 718.84 g/molEC 215-745-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Colocynthin chemical structure, C38H54O13, CAS 1398-78-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1398-78-3
Formula
C38H54O13
Molar mass
718.84 g/mol
EC number
215-745-9
HS code
293299
Category
Steroids and sterols

What is Colocynthin?

Plain description, key identifiers and synonyms

Cucurbitacin E 2-O-beta-D-glucopyranoside is a triterpenoid saponin that is cucurbitacin E attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. Isolated from Machilus yaoshansis it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a tertiary alpha-hydroxy ketone, a cucurbitacin, a beta-D-glucoside, an acetate ester, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to a cucurbitacin E.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate
CAS number
1398-78-3 CAS number cross-checked
EC number
215-745-9
Molecular formula
C38H54O13
UNII
6984R18595
MDL number
MFCD00046215
InChIKey
QKEJRKXVLGOJMB-YYBMGDPWSA-N
InChI
InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1
Canonical SMILES
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C
Isomeric SMILES
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O

Synonyms

  • Coloside A
  • Gratiotoxin
  • alpha-Elaterin 2-D-glucopyranoside
  • Colocynthinum
  • Elaterin, 2-beta-glucopyranoside
  • beta-Glucoside de LA curcurbitaine (E)
  • 2-o-beta-d-glucopyranosylcucurbitacin e
  • 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16-alpha,20,25-trihydroxy-, 25-acetate
  • 25-(Acetyloxy)-2-(beta-d-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
  • Cucurbitacin E-2-O-glucoside
  • Cueg
  • cucurbitacin E 2-O-beta-D-glucopyranoside
  • 2-O-b-D-Glucopyranosylcucurbitacin E
  • Cucurbitacin E 2-O-Glucoside (Elaterinide)
  • Colosi de A
  • Elaterinide (Colocynthin)
  • Cucurbitacin E 2-O-b-D-glucopyranoside
  • Elaterinide, >=95% (LC/MS-ELSD)
  • (4R,23E)-2-(beta-D-Glucopyranosyloxy)-16alpha,20-dihydroxy-9alpha,10,14-trimethyl-1,11,22-trioxo-8beta-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate
  • (4R,9beta,16alpha,23E)-2-(beta-D-glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate
  • (9?,10?,16?,23E)-25-(Acetyloxy)-2-(?-D-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione

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
718.84 g/molcalc.
Exact mass
718.3564 Dacalc.
LogP (octanol/water)
1.45calc.
Topological polar surface area
217.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
8calc.
Heavy atoms
51calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
13calc.
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=C1CC2=CCC3C4CCCC4CC(=O)C3C2C=C1OC1CCCCO1

O=C1CC2=CCC3C4CCCC4CC(=O)C3C2C=C1OC1CCCCO1

5 rings, 26 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

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Colocynthin price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant 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 Colocynthin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Colocynthin?

Cucurbitacin E 2-O-beta-D-glucopyranoside is a triterpenoid saponin that is cucurbitacin E attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. Isolated from Machilus yaoshansis it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite.

What is the CAS number of Colocynthin?

The CAS registry number of Colocynthin is 1398-78-3.

What is the molecular formula and weight of Colocynthin?

The molecular formula of Colocynthin is C38H54O13 and its molar mass is 718.84 g/mol.

What is Colocynthin used for?

Known uses and roles of Colocynthin include antineoplastic agent, eukaryotic metabolite, metabolite, pharmaceutical and plant metabolite.

Is Colocynthin hazardous?

Colocynthin carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Colocynthin?

Colocynthin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Colocynthin?

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What is the price of Colocynthin?

Suppliers quote Colocynthin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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