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Screening compounds

Mitorubrinol

Also known as [(7R)-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate, ((7R)-3-((E)-3-hydroxyprop-1-enyl)-7-methyl-6,8-dioxoisochromen-7-yl) 2,4-dihydroxy-6-methylbenzoate, (7R)-3-((1E)-3-Hydroxyprop-1-en-1-yl)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoic acid

CAS 3215-47-2Formula C21H18O8Molar mass 398.37 g/mol
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Mitorubrinol chemical structure, C21H18O8, CAS 3215-47-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3215-47-2
Formula
C21H18O8
Molar mass
398.37 g/mol
HS code
293299
Category
Screening compounds

What is Mitorubrinol?

Plain description, key identifiers and synonyms

Mitorubrinol is an azaphilone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7R)-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
CAS number
3215-47-2
Molecular formula
C21H18O8
UNII
Z7QAB4A87A
InChIKey
NXJNWGPNUAVXHT-YEFOHOTDSA-N
InChI
InChI=1S/C21H18O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-10,22-24H,5H2,1-2H3/b4-3+/t21-/m1/s1
Canonical SMILES
Cc1cc(O)cc(O)c1C(=O)OC1(C)C(=O)C=C2C=C(C=CCO)OC=C2C1=O
Isomeric SMILES
CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)/C=C/CO)C)O)O

Synonyms

  • [(7R)-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
  • ((7R)-3-((E)-3-hydroxyprop-1-enyl)-7-methyl-6,8-dioxoisochromen-7-yl) 2,4-dihydroxy-6-methylbenzoate
  • (7R)-3-((1E)-3-Hydroxyprop-1-en-1-yl)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoic acid
  • (7R)-3-[(1E)-3-Hydroxyprop-1-en-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoic acid
  • (-)-Mitorubrinol
  • [(7R)-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6,8-dioxo-isochromen-7-yl] 2,4-dihydroxy-6-methyl-benzoate
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (7R)-7,8-dihydro-3-[(1E)-3-hydroxy-1-propen-1-yl]-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (7R)-7,8-dihydro-3-[(1E)-3-hydroxy-1-propenyl]-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl ester

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
398.37 g/molcalc.
Exact mass
398.1002 Dacalc.
LogP (octanol/water)
1.75calc.
Topological polar surface area
130.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C(OC1C(=O)C=C2C=COC=C2C1=O)c1ccccc1

O=C(OC1C(=O)C=C2C=COC=C2C1=O)c1ccccc1

3 rings, 21 atoms.

7 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.

Mitorubrinol suppliers

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

Frequently asked questions

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

What is Mitorubrinol?

Mitorubrinol is an azaphilone.

What is the CAS number of Mitorubrinol?

The CAS registry number of Mitorubrinol is 3215-47-2.

What is the molecular formula and weight of Mitorubrinol?

The molecular formula of Mitorubrinol is C21H18O8 and its molar mass is 398.37 g/mol.

What is Mitorubrinol used for?

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

Is Mitorubrinol hazardous?

No GHS hazard classification for Mitorubrinol 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 Mitorubrinol?

Mitorubrinol 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 Mitorubrinol?

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

What is the price of Mitorubrinol?

Suppliers quote Mitorubrinol 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 Mitorubrinol

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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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