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Screening compounds

4-Hydroxyvertixanthone

Also known as methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate, methyl 3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate, 9H-Xanthene-1-carboxylic acid, 3,8-dihydroxy-6-methyl-9-oxo-, methyl ester

CAS 85003-85-6Formula C16H12O6Molar mass 300.27 g/mol
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4-Hydroxyvertixanthone chemical structure, C16H12O6, CAS 85003-85-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85003-85-6
Formula
C16H12O6
Molar mass
300.27 g/mol
HS code
293299
Category
Screening compounds

What is 4-Hydroxyvertixanthone?

Plain description, key identifiers and synonyms

Methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate is a member of the class of xanthones that is 9H-xanthene substituted by a methyl group at position 6, hydroxy groups at positions 3 and 8, an oxo group at position 9 and a methoxy carbonyl at position 1. It has been isolated from Microdiplodia species and Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a methyl ester, a polyphenol, a member of xanthones and an aromatic ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
CAS number
85003-85-6
Molecular formula
C16H12O6
UNII
W4KJT6YJP8
InChIKey
MJOGVUMPZLEYIH-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-7-3-10(18)14-11(4-7)22-12-6-8(17)5-9(16(20)21-2)13(12)15(14)19/h3-6,17-18H,1-2H3
SMILES (canonical and isomeric)
CC1=CC(=C2C(=C1)OC3=CC(=CC(=C3C2=O)C(=O)OC)O)O

Synonyms

  • methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
  • methyl 3,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
  • 9H-Xanthene-1-carboxylic acid, 3,8-dihydroxy-6-methyl-9-oxo-, methyl ester
  • Methyl 1,6-dihydroxy-3-methylxanthone-8-carboxylate
  • 3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
  • MEGxm0_000397
  • ACon0_000932
  • Methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate_120100"

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
300.27 g/molcalc.
Exact mass
300.0634 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
96.97 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.13calc.
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.

4-Hydroxyvertixanthone suppliers

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4-Hydroxyvertixanthone price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Aspergillus metabolite
  • eukaryotic metabolite
  • fungal metabolite
  • 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 4-Hydroxyvertixanthone 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 4-Hydroxyvertixanthone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Hydroxyvertixanthone, based on the data on this page

What is 4-Hydroxyvertixanthone?

Methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate is a member of the class of xanthones that is 9H-xanthene substituted by a methyl group at position 6, hydroxy groups at positions 3 and 8, an oxo group at position 9 and a methoxy carbonyl at position 1.

What is the CAS number of 4-Hydroxyvertixanthone?

The CAS registry number of 4-Hydroxyvertixanthone is 85003-85-6.

What is the molecular formula and weight of 4-Hydroxyvertixanthone?

The molecular formula of 4-Hydroxyvertixanthone is C16H12O6 and its molar mass is 300.27 g/mol.

What is 4-Hydroxyvertixanthone used for?

Known uses and roles of 4-Hydroxyvertixanthone include building blocks in research and laboratory, screening compounds in research and laboratory, aspergillus metabolite, eukaryotic metabolite, fungal metabolite and 1 more.

Is 4-Hydroxyvertixanthone hazardous?

No GHS hazard classification for 4-Hydroxyvertixanthone 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 4-Hydroxyvertixanthone?

4-Hydroxyvertixanthone 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 4-Hydroxyvertixanthone?

Post a free request on CompoundList and suppliers of 4-Hydroxyvertixanthone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Hydroxyvertixanthone?

Suppliers quote 4-Hydroxyvertixanthone 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 4-Hydroxyvertixanthone

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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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