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Screening compounds

Npc122363

Also known as Flavaspidic acid AB, 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4-dimethyl-6-((2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-, Butyrophenone, 3'-((5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-

CAS 3761-64-6Formula C22H26O8Molar mass 418.44 g/mol
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Npc122363 chemical structure, C22H26O8, CAS 3761-64-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3761-64-6
Formula
C22H26O8
Molar mass
418.44 g/mol
HS code
291450
Category
Screening compounds

What is Npc122363?

Plain description, key identifiers and synonyms

Flavaspidic acid AB is a polyphenol, a methyl ketone, a beta-hydroxy ketone and an aromatic ketone. It has a role as a metabolite and an antibacterial agent. It is functionally related to a phloroglucinol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
CAS number
3761-64-6
Molecular formula
C22H26O8
UNII
91GX3RYD91
InChIKey
PPRFIMGXDRYLGD-UHFFFAOYSA-N
InChI
InChI=1S/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h25-29H,6-8H2,1-5H3
SMILES (canonical and isomeric)
CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O)C)O

Synonyms

  • Flavaspidic acid AB
  • 2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4,4-dimethyl-6-((2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-
  • Butyrophenone, 3'-((5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-
  • 2-Acetyl-3,5-dihydroxy-4,4-dimethyl-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,5-cyclohexadien-1-one
  • Acetylflavaspidic acid
  • 2-Acetyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
  • 2-Acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-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
418.44 g/molcalc.
Exact mass
418.1628 Dacalc.
LogP (octanol/water)
3.46calc.
Topological polar surface area
152.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.41calc.
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=CC(Cc2ccccc2)=CC1

O=C1C=CC(Cc2ccccc2)=CC1

2 rings, 14 atoms.

13 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.

Npc122363 suppliers

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Npc122363 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

  • antibacterial agent
  • antimicrobial agent
  • 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 Npc122363 is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc122363 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc122363, based on the data on this page

What is Npc122363?

Flavaspidic acid AB is a polyphenol, a methyl ketone, a beta-hydroxy ketone and an aromatic ketone. It has a role as a metabolite and an antibacterial agent. It is functionally related to a phloroglucinol.

What is the CAS number of Npc122363?

The CAS registry number of Npc122363 is 3761-64-6.

What is the molecular formula and weight of Npc122363?

The molecular formula of Npc122363 is C22H26O8 and its molar mass is 418.44 g/mol.

What is Npc122363 used for?

Known uses and roles of Npc122363 include building blocks in research and laboratory, screening compounds in research and laboratory, antibacterial agent, antimicrobial agent and metabolite.

Is Npc122363 hazardous?

No GHS hazard classification for Npc122363 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 Npc122363?

Npc122363 is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc122363?

Post a free request on CompoundList and suppliers of Npc122363 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc122363?

Suppliers quote Npc122363 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 Npc122363

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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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