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Screening compounds

Mappain

Also known as 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol, 5-((E)-2-(3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl)ethenyl)-3-((2E)-3,7-dimethylocta-2,6-dienyl)benzene-1,2-diol

CAS 319915-14-5Formula C29H36O4Molar mass 448.60 g/mol
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Mappain chemical structure, C29H36O4, CAS 319915-14-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
319915-14-5
Formula
C29H36O4
Molar mass
448.60 g/mol
HS code
290729
Category
Screening compounds

What is Mappain?

Plain description, key identifiers and synonyms

Mappain is a chemical substance with the molecular formula C29H36O4 and a molar mass of 448.60 g/mol. Its CAS registry number is 319915-14-5. The IUPAC name is 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol
CAS number
319915-14-5
Molecular formula
C29H36O4
InChIKey
GJZKDVGLDGLPMB-ZVBRSKEYSA-N
InChI
InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-13-24-15-22(18-28(32)29(24)33)11-12-23-16-26(30)25(27(31)17-23)14-9-20(3)4/h7,9-12,15-18,30-33H,6,8,13-14H2,1-5H3/b12-11+,21-10+
Canonical SMILES
CC(C)=CCCC(C)=CCc1cc(C=Cc2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O
Isomeric SMILES
CC(=CCC/C(=C/CC1=C(C(=CC(=C1)/C=C/C2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)/C)C

Synonyms

  • 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol
  • 5-((E)-2-(3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl)ethenyl)-3-((2E)-3,7-dimethylocta-2,6-dienyl)benzene-1,2-diol

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
448.60 g/molcalc.
Exact mass
448.2614 Dacalc.
LogP (octanol/water)
7.42calc.
Topological polar surface area
80.92 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
9calc.
Heavy atoms
33calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, C(=Cc1ccccc1)c1ccccc1

C(=Cc1ccccc1)c1ccccc1

2 rings, 14 atoms, the Stilbene ring system.

2,005 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.

Mappain suppliers

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Mappain 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 Mappain is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Mappain?

Mappain is a chemical substance with the molecular formula C29H36O4 and a molar mass of 448.60 g/mol. Its CAS registry number is 319915-14-5. The IUPAC name is 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol.

What is the CAS number of Mappain?

The CAS registry number of Mappain is 319915-14-5.

What is the molecular formula and weight of Mappain?

The molecular formula of Mappain is C29H36O4 and its molar mass is 448.60 g/mol.

What is Mappain used for?

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

Is Mappain hazardous?

No GHS hazard classification for Mappain 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 Mappain?

Mappain is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mappain?

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What is the price of Mappain?

Suppliers quote Mappain 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 Mappain

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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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