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Screening compounds

Ascocorynin

Also known as doi:10.14272/PNTORJXTFRBTDZ-UHFFFAOYSA-N.1, 4-Hydroxy-2-(4-hydroxyphenyl)-3,6-dioxo-5-phenylcyclohexa-1,4-dien-1-olate

CAS 6172-48-1Formula C18H12O5Molar mass 308.29 g/mol
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Ascocorynin chemical structure, C18H12O5, CAS 6172-48-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6172-48-1
Formula
C18H12O5
Molar mass
308.29 g/mol
HS code
291469
Category
Screening compounds

What is Ascocorynin?

Plain description, key identifiers and synonyms

2,5-Dihydroxy-3-(4-hydroxyphenyl)-6-phenylcyclohexa-2,5-diene-1,4-dione has been reported in Stilbella and Ascocoryne sarcoides.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-phenylcyclohexa-2,5-diene-1,4-dione
CAS number
6172-48-1
Molecular formula
C18H12O5
InChIKey
PNTORJXTFRBTDZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H12O5/c19-12-8-6-11(7-9-12)14-17(22)15(20)13(16(21)18(14)23)10-4-2-1-3-5-10/h1-9,19-20,23H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O

Synonyms

  • doi:10.14272/PNTORJXTFRBTDZ-UHFFFAOYSA-N.1
  • 4-Hydroxy-2-(4-hydroxyphenyl)-3,6-dioxo-5-phenylcyclohexa-1,4-dien-1-olate

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
308.29 g/molcalc.
Exact mass
308.0685 Dacalc.
LogP (octanol/water)
2.78calc.
Topological polar surface area
94.83 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
2calc.
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=C1C=C(c2ccccc2)C(=O)C=C1c1ccccc1

O=C1C=C(c2ccccc2)C(=O)C=C1c1ccccc1

3 rings, 20 atoms, the 2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione ring system.

37 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.

Ascocorynin suppliers

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Ascocorynin 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

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 Ascocorynin is traded under.

HS 2914.69Indicative HS code

Quinones, other

World exports in 2024
$162M
−10.1% vs 2023, imports $157M
2019 to 2024
Top exporters
  1. China32.8%
  2. Netherlands29.3%
  3. Japan13.8%
Top importers
  1. United States23.0%
  2. India * partner reported16.1%
  3. Thailand7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ascocorynin?

2,5-Dihydroxy-3-(4-hydroxyphenyl)-6-phenylcyclohexa-2,5-diene-1,4-dione has been reported in Stilbella and Ascocoryne sarcoides.

What is the CAS number of Ascocorynin?

The CAS registry number of Ascocorynin is 6172-48-1.

What is the molecular formula and weight of Ascocorynin?

The molecular formula of Ascocorynin is C18H12O5 and its molar mass is 308.29 g/mol.

What is Ascocorynin used for?

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

Is Ascocorynin hazardous?

No GHS hazard classification for Ascocorynin 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 Ascocorynin?

Ascocorynin is usually classified under HS code 291469 (Quinones, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ascocorynin?

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

What is the price of Ascocorynin?

Suppliers quote Ascocorynin 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 Ascocorynin

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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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