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Heterocyclic compounds

Gentisin

Also known as Gentianin, 1,7-dihydroxy-3-methoxy-9H-xanthen-9-one, Gentianic acid

CAS 437-50-3Formula C14H10O5Molar mass 258.23 g/molEC 207-114-1
1 supplier listed
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Gentisin chemical structure, C14H10O5, CAS 437-50-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
437-50-3
Formula
C14H10O5
Molar mass
258.23 g/mol
EC number
207-114-1
HS code
293299
Category
Heterocyclic compounds

What is Gentisin?

Plain description, key identifiers and synonyms

Gentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. It has a role as a plant metabolite. It is a polyphenol, an aromatic ether and a member of xanthones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,7-dihydroxy-3-methoxyxanthen-9-one
CAS number
437-50-3 CAS number cross-checked
EC number
207-114-1
Molecular formula
C14H10O5
UNII
K57MOP2HM0
MDL number
MFCD00075947
InChIKey
XOXYHGOIRWABTC-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3
SMILES (canonical and isomeric)
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O

Synonyms

  • Gentianin
  • 1,7-dihydroxy-3-methoxy-9H-xanthen-9-one
  • Gentianic acid
  • 1,7-Dihydroxy-3-methoxyxanthone
  • 1,7-dihydroxy-3-methoxyanthone
  • Gentisine
  • 1,7-Dihydroxy-3-methoxyxanthen-9-one
  • 9H-Xanthen-9-one, 1,7-dihydroxy-3-methoxy-
  • 4,7-Dihydroxy-2-methoxyxanthone
  • 1,7-dihydroxy-3-methoxy-xanthen-9-one
  • Gentianin?
  • Xanthen-9-one, 1,7-dihydroxy-3-methoxy-
  • 1,7-dihydroxy-3-methoxy-xanthone

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
258.23 g/molcalc.
Exact mass
258.0528 Dacalc.
LogP (octanol/water)
2.37calc.
Topological polar surface area
79.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.07calc.
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.

Gentisin suppliers

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  • A1 BioChem Labs
    United States, WilmingtonUnclaimed profile
    GentisinGrade, 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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Gentisin 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

  • eukaryotic metabolite
  • metabolite
  • plant 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 Gentisin 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 Gentisin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Gentisin?

Gentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. It has a role as a plant metabolite. It is a polyphenol, an aromatic ether and a member of xanthones.

What is the CAS number of Gentisin?

The CAS registry number of Gentisin is 437-50-3.

What is the molecular formula and weight of Gentisin?

The molecular formula of Gentisin is C14H10O5 and its molar mass is 258.23 g/mol.

What is Gentisin used for?

Known uses and roles of Gentisin include eukaryotic metabolite, metabolite and plant metabolite.

Is Gentisin hazardous?

No GHS hazard classification for Gentisin 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 Gentisin?

Gentisin 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 Gentisin?

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

What is the price of Gentisin?

Suppliers quote Gentisin 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 Gentisin

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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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