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Aliphatic and alicyclic building blocks

Indicanone

Also known as (5R)-8-(hydroxymethyl)-3-methyl-5-(prop-1-en-2-yl)-4,5,6,7-tetrahydroazulen-2(1H)-one, (5R)-8-(hydroxymethyl)-3-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-azulen-2-one, (+)-Indicanone

CAS 852460-22-1Formula C15H20O2Molar mass 232.32 g/mol
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Indicanone chemical structure, C15H20O2, CAS 852460-22-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
852460-22-1
Formula
C15H20O2
Molar mass
232.32 g/mol
HS code
291440
Category
Aliphatic and alicyclic building blocks

What is Indicanone?

Plain description, key identifiers and synonyms

Indicanone is a guaiane sesquiterpenoid that is 4,5,6,7-tetrahydroazulen-2(1H)-one substituted by a hydroxymethyl group at position 8, a methyl group at position 3 and an isopropenyl group at position 5. Isolated from the roots of Wikstroemia indica, it exhibits antiinflammatory activity. It has a role as a metabolite, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an anti-inflammatory agent. It is a primary alcohol and a guaiane sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R)-8-(hydroxymethyl)-3-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-azulen-2-one
CAS number
852460-22-1
Molecular formula
C15H20O2
InChIKey
BIWBNAFBKLFTGT-LLVKDONJSA-N
InChI
InChI=1S/C15H20O2/c1-9(2)11-4-5-12(8-16)14-7-15(17)10(3)13(14)6-11/h11,16H,1,4-8H2,2-3H3/t11-/m1/s1
Canonical SMILES
C=C(C)C1CCC(CO)=C2CC(=O)C(C)=C2C1
Isomeric SMILES
CC1=C2C[C@@H](CCC(=C2CC1=O)CO)C(=C)C

Synonyms

  • (5R)-8-(hydroxymethyl)-3-methyl-5-(prop-1-en-2-yl)-4,5,6,7-tetrahydroazulen-2(1H)-one
  • (5R)-8-(hydroxymethyl)-3-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-azulen-2-one
  • (+)-Indicanone

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
232.32 g/molcalc.
Exact mass
232.1463 Dacalc.
LogP (octanol/water)
2.94calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C2CCCCC=C2C1

O=C1C=C2CCCCC=C2C1

2 rings, 11 atoms.

No other chemical in our database has 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.

Indicanone suppliers

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Indicanone 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

  • anti-inflammatory 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 Indicanone 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 Indicanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Indicanone?

Indicanone is a guaiane sesquiterpenoid that is 4,5,6,7-tetrahydroazulen-2(1H)-one substituted by a hydroxymethyl group at position 8, a methyl group at position 3 and an isopropenyl group at position 5. Isolated from the roots of Wikstroemia indica, it exhibits antiinflammatory activity.

What is the CAS number of Indicanone?

The CAS registry number of Indicanone is 852460-22-1.

What is the molecular formula and weight of Indicanone?

The molecular formula of Indicanone is C15H20O2 and its molar mass is 232.32 g/mol.

What is Indicanone used for?

Known uses and roles of Indicanone include building blocks in research and laboratory, screening compounds in research and laboratory, anti-inflammatory agent, enzyme inhibitor and metabolite.

Is Indicanone hazardous?

No GHS hazard classification for Indicanone 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 Indicanone?

Indicanone 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 Indicanone?

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

What is the price of Indicanone?

Suppliers quote Indicanone 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 Indicanone

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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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