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Screening compounds

Australifungin

Also known as (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one, (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(2Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one, (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-((2Z)-3-hydroxyprop-2-enoyl)-4,7-dimethyl-3-((2R)-octan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one

CAS 155468-85-2Formula C23H36O6Molar mass 408.54 g/mol
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Australifungin chemical structure, C23H36O6, CAS 155468-85-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
155468-85-2
Formula
C23H36O6
Molar mass
408.54 g/mol
HS code
291440
Category
Screening compounds

What is Australifungin?

Plain description, key identifiers and synonyms

Australifungin is a carbobicyclic compound that is 4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one substituted by hydroxy groups at positions 2, 5 and 8, a (2Z)-3-hydroxyprop-2-enoyl group at position 4, methyl groups at positions 4 and 7 and a 2R-octan-2-yl group at position 3 (the 4S,4aR,5S,7R,8R,8aS stereoisomer). It is isolated from the fermentation extracts of Sporormiella australis and exhibits antifungal activity by interfering with the fungal lipid metabolism. It has a role as a metabolite, an antifungal agent, an EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor and a HIV-1 integrase inhibitor. It is an enol, a secondary alcohol, a carbobicyclic compound and an enone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
CAS number
155468-85-2
Molecular formula
C23H36O6
InChIKey
QURROFPXYUFYAZ-GFHGMWMXSA-N
InChI
InChI=1S/C23H36O6/c1-5-6-7-8-9-13(2)18-22(29)21(28)17-19(15(25)12-14(3)20(17)27)23(18,4)16(26)10-11-24/h10-11,13-15,17,19-20,24-25,27,29H,5-9,12H2,1-4H3/b11-10-/t13-,14-,15+,17+,19-,20-,23-/m1/s1
Canonical SMILES
CCCCCCC(C)C1=C(O)C(=O)C2C(O)C(C)CC(O)C2C1(C)C(=O)C=CO
Isomeric SMILES
CCCCCC[C@@H](C)C1=C(C(=O)[C@H]2[C@H]([C@]1(C)C(=O)/C=C\O)[C@H](C[C@H]([C@H]2O)C)O)O

Synonyms

  • (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
  • (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(2Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one
  • (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-((2Z)-3-hydroxyprop-2-enoyl)-4,7-dimethyl-3-((2R)-octan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one
  • (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-((Z)-3-hydroxyprop-2-enoyl)-4,7-dimethyl-3-((2R)-octan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
  • (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(1R)-1-methylheptyl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
  • 1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-2,5,8-trihydroxy-4-[(2Z)-3-hydroxy-1-oxo-2-propenyl]-4,7-dimethyl-3-[(1R)-1-methylheptyl]-, (4S,4aR,5S,7R,8R,8aS)-

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
408.54 g/molcalc.
Exact mass
408.2512 Dacalc.
LogP (octanol/water)
3.63calc.
Topological polar surface area
115.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
7calc.
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=CCC2CCCCC12

O=C1C=CCC2CCCCC12

2 rings, 11 atoms.

15 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.

Australifungin suppliers

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Australifungin 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

  • HIV-1 integrase inhibitor
  • anti-HIV agent
  • anti-HIV-1 agent
  • antifungal agent
  • antimicrobial agent
  • antiviral agent
  • enzyme inhibitor
  • 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 Australifungin is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Australifungin?

Australifungin is a carbobicyclic compound that is 4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one substituted by hydroxy groups at positions 2, 5 and 8, a (2Z)-3-hydroxyprop-2-enoyl group at position 4, methyl groups at positions 4 and 7 and a 2R-octan-2-yl group at position 3 (the 4S,4aR,5S,7R,8R,8aS stereoisomer).

What is the CAS number of Australifungin?

The CAS registry number of Australifungin is 155468-85-2.

What is the molecular formula and weight of Australifungin?

The molecular formula of Australifungin is C23H36O6 and its molar mass is 408.54 g/mol.

What is Australifungin used for?

Known uses and roles of Australifungin include building blocks in research and laboratory, screening compounds in research and laboratory, hiv-1 integrase inhibitor, anti-hiv agent, anti-hiv-1 agent and 5 more.

Is Australifungin hazardous?

No GHS hazard classification for Australifungin 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 Australifungin?

Australifungin is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Australifungin?

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

What is the price of Australifungin?

Suppliers quote Australifungin 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 Australifungin

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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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