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Screening compounds

Derrubone

Also known as 5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one, Isoflavone, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-3',4'-(methylenedioxy)-

CAS 22044-58-2Formula C21H18O6Molar mass 366.37 g/mol
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Derrubone chemical structure, C21H18O6, CAS 22044-58-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
22044-58-2
Formula
C21H18O6
Molar mass
366.37 g/mol
HS code
293299
Category
Screening compounds

What is Derrubone?

Plain description, key identifiers and synonyms

3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one is a member of isoflavanones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
CAS number
22044-58-2 CAS number cross-checked
Molecular formula
C21H18O6
UNII
EVN8G9T8C6
InChIKey
FTBGFGQPUMCUSC-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O6/c1-11(2)3-5-13-15(22)8-18-19(20(13)23)21(24)14(9-25-18)12-4-6-16-17(7-12)27-10-26-16/h3-4,6-9,22-23H,5,10H2,1-2H3
SMILES (canonical and isomeric)
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC4=C(C=C3)OCO4)O)C

Synonyms

  • 5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone
  • 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
  • Isoflavone, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-3',4'-(methylenedioxy)-
  • 3-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)- (
  • Derrubone, >98% (HPLC)
  • Sdccgmls-0066443.p001
  • 3-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-4H-chromen-4-one
  • 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-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
366.37 g/molcalc.
Exact mass
366.1103 Dacalc.
LogP (octanol/water)
4.11calc.
Topological polar surface area
89.13 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
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(-c2ccc3c(c2)OCO3)coc2ccccc12

O=c1c(-c2ccc3c(c2)OCO3)coc2ccccc12

4 rings, 20 atoms.

55 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.

Derrubone suppliers

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

Frequently asked questions

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

What is Derrubone?

3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one is a member of isoflavanones.

What is the CAS number of Derrubone?

The CAS registry number of Derrubone is 22044-58-2.

What is the molecular formula and weight of Derrubone?

The molecular formula of Derrubone is C21H18O6 and its molar mass is 366.37 g/mol.

What is Derrubone used for?

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

Is Derrubone hazardous?

No GHS hazard classification for Derrubone 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 Derrubone?

Derrubone 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 Derrubone?

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

What is the price of Derrubone?

Suppliers quote Derrubone 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 Derrubone

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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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