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Aldehydes and ketones

Deoxylapachol

Also known as 2-(3-methylbut-2-enyl)naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-(3-methyl-2-butenyl)-, 2-(3-Methylbut-2-en-1-yl)naphthalene-1,4-dione

CAS 3568-90-9Formula C15H14O2Molar mass 226.28 g/mol
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Deoxylapachol chemical structure, C15H14O2, CAS 3568-90-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3568-90-9
Formula
C15H14O2
Molar mass
226.28 g/mol
HS code
291469
Category
Aldehydes and ketones

What is Deoxylapachol?

Plain description, key identifiers and synonyms

Deoxylapachol is a member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone substituted by a 3-methylbut-2-en-1-yl group at position 2. It has a role as an antineoplastic agent, an antifungal agent, a marine metabolite, a plant metabolite and an algal metabolite. It is a member of 1,4-naphthoquinones and an olefinic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(3-methylbut-2-enyl)naphthalene-1,4-dione
CAS number
3568-90-9 CAS number cross-checked
Molecular formula
C15H14O2
UNII
M5RT9GV702
MDL number
MFCD04112893
InChIKey
OSDFYZPKJKRCRR-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9H,8H2,1-2H3
SMILES (canonical and isomeric)
CC(=CCC1=CC(=O)C2=CC=CC=C2C1=O)C

Synonyms

  • 2-(3-methylbut-2-enyl)naphthalene-1,4-dione
  • 1,4-Naphthalenedione, 2-(3-methyl-2-butenyl)-
  • 2-(3-Methylbut-2-en-1-yl)naphthalene-1,4-dione
  • 2-Deoxylapachol
  • Desoxylapachol
  • 1,4-Naphthoquinone, 2-(3-methyl-2-butenyl)-
  • 2-(3-methylbut-2-en-1-yl)-1,4-dihydronaphthalene-1,4-dione
  • prenylnaphthoquinone
  • 2-Demethylmenaquinone
  • 2-demethylmenaquinones
  • a 2-demethylmenaquinone
  • 2-(3-Methyl-2-butenyl)-1,4-naphthoquinone
  • 2-(3-Methylbut-2-en-1-yl)naphthal
  • 1,4-Naphthalenedione, 2-(3-methyl-2-buten-1-yl)-

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
226.28 g/molcalc.
Exact mass
226.0994 Dacalc.
LogP (octanol/water)
3.35calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.2calc.
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(=O)c2ccccc21

O=C1C=CC(=O)c2ccccc21

2 rings, 12 atoms, the 1,4-Naphthoquinone ring system.

875 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.

Deoxylapachol suppliers

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Deoxylapachol 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

  • Escherichia coli metabolite
  • algal metabolite
  • antifungal agent
  • antimicrobial agent
  • antineoplastic agent
  • bacterial metabolite
  • eukaryotic metabolite
  • marine metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite
  • prokaryotic 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 Deoxylapachol 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 Deoxylapachol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Deoxylapachol?

Deoxylapachol is a member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone substituted by a 3-methylbut-2-en-1-yl group at position 2. It has a role as an antineoplastic agent, an antifungal agent, a marine metabolite, a plant metabolite and an algal metabolite.

Guides for buyers

Practical guides that help when you source, ship or handle Deoxylapachol

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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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