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Screening compounds

Demethyleustomin

Also known as 1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone, Demethyl-eustomin, 1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one

CAS 82868-96-0Formula C17H16O8Molar mass 348.31 g/mol
1 supplier listed
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Demethyleustomin chemical structure, C17H16O8, CAS 82868-96-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82868-96-0
Formula
C17H16O8
Molar mass
348.31 g/mol
HS code
293299
Category
Screening compounds

What is Demethyleustomin?

Plain description, key identifiers and synonyms

1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone has been reported in Centaurium erythraea, Centaurium littorale, and Centaurium pulchellum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CAS number
82868-96-0 CAS number cross-checked
Molecular formula
C17H16O8
InChIKey
PFIUFQOJAPBLTQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H16O8/c1-21-7-5-8(18)10-9(6-7)25-14-11(12(10)19)13(20)15(22-2)17(24-4)16(14)23-3/h5-6,18,20H,1-4H3
SMILES (canonical and isomeric)
COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC)O

Synonyms

  • 1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone
  • Demethyl-eustomin
  • 1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
  • 1,8-dihydroxy-3,5,6,7-tetramethoxy-xanthone
  • 1,8-Dihydroxy-2,3,4,6-tetramethoxy-9H-xanthen-9-one
  • 9H-Xanthen-9-one, 1,8-dihydroxy-2,3,4,6-tetramethoxy-
  • DemethylEustomine

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
348.31 g/molcalc.
Exact mass
348.0845 Dacalc.
LogP (octanol/water)
2.39calc.
Topological polar surface area
107.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
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=c1c2ccccc2oc2ccccc12

O=c1c2ccccc2oc2ccccc12

3 rings, 15 atoms, the Xanthone ring system.

834 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.

Demethyleustomin suppliers

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

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  • OpalOrga
    France, SamerUnclaimed profile
    DemethyleustominGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

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Demethyleustomin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

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 Demethyleustomin 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 Demethyleustomin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Demethyleustomin?

1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone has been reported in Centaurium erythraea, Centaurium littorale, and Centaurium pulchellum.

What is the CAS number of Demethyleustomin?

The CAS registry number of Demethyleustomin is 82868-96-0.

What is the molecular formula and weight of Demethyleustomin?

The molecular formula of Demethyleustomin is C17H16O8 and its molar mass is 348.31 g/mol.

What is Demethyleustomin used for?

Known uses and roles of Demethyleustomin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Demethyleustomin hazardous?

No GHS hazard classification for Demethyleustomin 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 Demethyleustomin?

Demethyleustomin 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 Demethyleustomin?

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

What is the price of Demethyleustomin?

Suppliers quote Demethyleustomin 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 Demethyleustomin

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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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