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Heterocyclic compounds

HC-toxin

Also known as HC Toxin, Cyclo(aoe-pro-ala-ala), Cyclo(2-amino-8-oxo-9,10-epoxydecanoic acid-prolyl-alanyl-alanine)

CAS 83209-65-8Formula C21H32N4O6Molar mass 436.51 g/molEC 804-302-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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HC-toxin chemical structure, C21H32N4O6, CAS 83209-65-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83209-65-8
Formula
C21H32N4O6
Molar mass
436.51 g/mol
EC number
804-302-0
HS code
293379
Category
Heterocyclic compounds

What is HC-toxin?

Plain description, key identifiers and synonyms

HC-Toxin is a host-specific toxin from the maize pathogen Cochliobolus carbonum. An inhibitor of histone deacetylase, it is a cyclic tetrapeptide containing an epoxide alpha-amino acid. Inhibition of histone deacetylase is sensitive to mercaptoethanol treatment.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6R,9S,12R)-6,9-dimethyl-3-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CAS number
83209-65-8 CAS number cross-checked
EC number
804-302-0
Molecular formula
C21H32N4O6
UNII
17NL0QLS6P
InChIKey
GNYCTMYOHGBSBI-SVZOTFJBSA-N
InChI
InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17-/m0/s1
Canonical SMILES
CC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CCCCCC(=O)C2CO2)NC1=O
Isomeric SMILES
C[C@@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)C)CCCCCC(=O)[C@@H]3CO3

Synonyms

  • HC Toxin
  • Cyclo(aoe-pro-ala-ala)
  • Cyclo(2-amino-8-oxo-9,10-epoxydecanoic acid-prolyl-alanyl-alanine)
  • (3S,6R,9S,12R)-6,9-dimethyl-3-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • Cyclic(L-alanyl-D-alanyl-eta-oxo-L-alpha-aminooxiraneoctanoyl-D-prolyl)
  • Cyclo(L-alanyl-D-alanyl-(alphaS,2S)-alpha-amino-eta-oxooxiraneoctanoyl-D-prolyl)
  • (3S,6R,9S,12R)-6,9-dimethyl-3-(6-((2S)-oxiran-2-yl)-6-oxohexyl)-1,4,7,10-tetrazabicyclo(10.3.0)pentadecane-2,5,8,11-tetrone
  • Cyclo(D-Pro-L-Ala-D-Ala-L-Aeo)
  • (3S,6R,9S,12R)-6,9-dimethyl-3-(6-(oxiran-2-yl)-6-oxohexyl)-1,4,7,10-tetrazabicyclo(10.3.0)pentadecane-2,5,8,11-tetrone
  • helminthosporium carbonum toxin i
  • Helminthosporium carbonum toxin
  • HC-TOXIN I
  • Cyclo(L-alanyl-D-alanyl-8-oxiranyl-8-oxo-L-2-aminooctanoyl-D-prolyl), (S)-
  • Peptide, (xaa-pro-ala-ala)
  • Toxin i (helminthosporium carbonum)
  • Cyclo(L-alanyl-d-alanyl-8-oxiranyl-8-oxo-2-aminooctanoyl-d-prolyl)
  • Cyclo(L-alanyl-d-alanyl-(2S)-eta-oxo-l-alpha-aminooxiraneoctanoyl-d-prolyl)
  • (3S,6R,9S,14aR)-3,6-Dimethyl-9-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}decahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetrone
  • Cyclo(L-alanyl-d-alanyl-(.alpha.s,2S)-alpha-amino-eta-oxooxiraneoctanoyl-d-prolyl)

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
436.51 g/molcalc.
Exact mass
436.2322 Dacalc.
LogP (octanol/water)
-0.6calc.
Topological polar surface area
137.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C1CNC(=O)C2CCCN2C(=O)C(CCCCCC(=O)C2CO2)NC(=O)CN1

O=C1CNC(=O)C2CCCN2C(=O)C(CCCCCC(=O)C2CO2)NC(=O)CN1

3 rings, 29 atoms.

2 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

HC-toxin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • Fermentek Ltd
    IsraelUnclaimed profile
    HC-toxinGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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HC-toxin 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

  • antineoplastic agent
  • enzyme inhibitor
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • phytotoxin
  • plant metabolite
  • poison
  • toxin

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 HC-toxin is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about HC-toxin, based on the data on this page

What is HC-toxin?

HC-Toxin is a host-specific toxin from the maize pathogen Cochliobolus carbonum. An inhibitor of histone deacetylase, it is a cyclic tetrapeptide containing an epoxide alpha-amino acid. Inhibition of histone deacetylase is sensitive to mercaptoethanol treatment.

What is the CAS number of HC-toxin?

The CAS registry number of HC-toxin is 83209-65-8.

What is the molecular formula and weight of HC-toxin?

The molecular formula of HC-toxin is C21H32N4O6 and its molar mass is 436.51 g/mol.

What is HC-toxin used for?

Known uses and roles of HC-toxin include antineoplastic agent, enzyme inhibitor, eukaryotic metabolite, metabolite, pharmaceutical and 4 more.

Is HC-toxin hazardous?

HC-toxin 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 HC-toxin?

HC-toxin is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy HC-toxin?

CompoundList lists 1 supplier of HC-toxin in Israel. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of HC-toxin?

Suppliers quote HC-toxin 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

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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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