CompoundList
Sign in
Heterocyclic compounds

Deoxyviolacein

Also known as 3-[2-hydroxy-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one, (E)-3-(5-(1H-indol-3-yl)-2-oxo-1H-pyrrol-3(2H)-ylidene)indolin-2-one, 3-[5-(1H-Indole-3-yl)-2,3-dihydro-2-oxo-1H-pyrrole-3-ylidene]-1H-indole-2(2H)-one

CAS 5839-61-2Formula C20H13N3O2Molar mass 327.34 g/mol
1 supplier listed
Get quotes See the supplier
Deoxyviolacein chemical structure, C20H13N3O2, CAS 5839-61-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5839-61-2
Formula
C20H13N3O2
Molar mass
327.34 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Deoxyviolacein?

Plain description, key identifiers and synonyms

Deoxyviolacein is a member of the class of oxindoles resulting from formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 1H-indol-3-yl group, where the newly-formed double bond has E configuration. It has a role as an antibacterial agent, an antifungal agent and a bacterial metabolite. It is a member of pyrroles, a member of oxindoles and an olefinic compound. It is functionally related to a proviolacein.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[2-hydroxy-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
CAS number
5839-61-2
Molecular formula
C20H13N3O2
InChIKey
JHKIFAKMDLEWJK-UHFFFAOYSA-N
InChI
InChI=1S/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21,23-24H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=CN2)C3=CC(=C(N3)O)C4=C5C=CC=CC5=NC4=O

Synonyms

  • 3-[2-hydroxy-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
  • (E)-3-(5-(1H-indol-3-yl)-2-oxo-1H-pyrrol-3(2H)-ylidene)indolin-2-one
  • 3-[5-(1H-Indole-3-yl)-2,3-dihydro-2-oxo-1H-pyrrole-3-ylidene]-1H-indole-2(2H)-one
  • (3E)-3-[5-(1H-indol-3-yl)-2-oxo-1H-pyrrol-3-ylidene]indolin-2-one
  • (E)-3-(5-(1H-Indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene)indolin-2-one
  • (3E)-3-[5-(1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one

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
327.34 g/molcalc.
Exact mass
327.1008 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
81.24 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1N=c2ccccc2=C1c1c[nH]c(-c2c[nH]c3ccccc23)c1

O=C1N=c2ccccc2=C1c1c[nH]c(-c2c[nH]c3ccccc23)c1

5 rings, 24 atoms.

1 other chemical 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.

Deoxyviolacein suppliers

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

See the supplier

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Deoxyviolacein price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • antibacterial agent
  • antifungal agent
  • antimicrobial agent
  • bacterial metabolite
  • metabolite
  • prokaryotic 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 Deoxyviolacein is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Deoxyviolacein?

Deoxyviolacein is a member of the class of oxindoles resulting from formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 1H-indol-3-yl group, where the newly-formed double bond has E configuration.

What is the CAS number of Deoxyviolacein?

The CAS registry number of Deoxyviolacein is 5839-61-2.

What is the molecular formula and weight of Deoxyviolacein?

The molecular formula of Deoxyviolacein is C20H13N3O2 and its molar mass is 327.34 g/mol.

What is Deoxyviolacein used for?

Known uses and roles of Deoxyviolacein include antibacterial agent, antifungal agent, antimicrobial agent, bacterial metabolite, metabolite and 1 more.

Is Deoxyviolacein hazardous?

No GHS hazard classification for Deoxyviolacein 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 Deoxyviolacein?

Deoxyviolacein is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Deoxyviolacein?

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

What is the price of Deoxyviolacein?

Suppliers quote Deoxyviolacein 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 Deoxyviolacein

Get quotes for Deoxyviolacein

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Deoxyviolacein
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Deoxyviolacein with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/deoxyviolacein-5839-61-2" title="Deoxyviolacein structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic compounds or HS code 293399

1 supplier
Free quotes, contact stays private
Get quotes