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Screening compounds

2-Isoprenylemodin

Also known as 2-isopentenylemodine, 1,3,8-trihydroxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione, 1,3,8-Trihydroxy-6-methyl-2-(3-methylbut-2-en-1-yl)anthracene-9,10-dione

CAS 82345-58-2Formula C20H18O5Molar mass 338.36 g/mol
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2-Isoprenylemodin chemical structure, C20H18O5, CAS 82345-58-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82345-58-2
Formula
C20H18O5
Molar mass
338.36 g/mol
HS code
291469
Category
Screening compounds

What is 2-Isoprenylemodin?

Plain description, key identifiers and synonyms

2-Isoprenylemodin is a trihydroxyanthraquinone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3,8-trihydroxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione
CAS number
82345-58-2 CAS number cross-checked
Molecular formula
C20H18O5
InChIKey
WQTDARJAYXTHNU-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O5/c1-9(2)4-5-11-14(21)8-13-17(19(11)24)20(25)16-12(18(13)23)6-10(3)7-15(16)22/h4,6-8,21-22,24H,5H2,1-3H3
SMILES (canonical and isomeric)
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)CC=C(C)C)O

Synonyms

  • 2-isopentenylemodine
  • 1,3,8-trihydroxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione
  • 1,3,8-Trihydroxy-6-methyl-2-(3-methylbut-2-en-1-yl)anthracene-9,10-dione

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
338.36 g/molcalc.
Exact mass
338.1154 Dacalc.
LogP (octanol/water)
3.4calc.
Topological polar surface area
94.83 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
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=C1c2ccccc2C(=O)c2ccccc21

O=C1c2ccccc2C(=O)c2ccccc21

3 rings, 16 atoms, the Anthraquinone ring system.

2,059 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.

2-Isoprenylemodin suppliers

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2-Isoprenylemodin 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 2-Isoprenylemodin 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 2-Isoprenylemodin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Isoprenylemodin, based on the data on this page

What is 2-Isoprenylemodin?

2-Isoprenylemodin is a trihydroxyanthraquinone.

What is the CAS number of 2-Isoprenylemodin?

The CAS registry number of 2-Isoprenylemodin is 82345-58-2.

What is the molecular formula and weight of 2-Isoprenylemodin?

The molecular formula of 2-Isoprenylemodin is C20H18O5 and its molar mass is 338.36 g/mol.

What is 2-Isoprenylemodin used for?

Known uses and roles of 2-Isoprenylemodin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Isoprenylemodin hazardous?

No GHS hazard classification for 2-Isoprenylemodin 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 2-Isoprenylemodin?

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

Where can I buy 2-Isoprenylemodin?

Post a free request on CompoundList and suppliers of 2-Isoprenylemodin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Isoprenylemodin?

Suppliers quote 2-Isoprenylemodin 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 2-Isoprenylemodin

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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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