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Flavonoids and polyphenols

Triangularin

Also known as (E)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one

CAS 67777-33-7Formula C17H16O4Molar mass 284.31 g/mol
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Triangularin chemical structure, C17H16O4, CAS 67777-33-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
67777-33-7
Formula
C17H16O4
Molar mass
284.31 g/mol
HS code
291450
Category
Flavonoids and polyphenols

What is Triangularin?

Plain description, key identifiers and synonyms

Triangularin has been reported in Comptonia peregrina.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
CAS number
67777-33-7
Molecular formula
C17H16O4
InChIKey
JOWOJLYSOUYSCI-CMDGGOBGSA-N
InChI
InChI=1S/C17H16O4/c1-11-15(21-2)10-14(19)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
Canonical SMILES
COc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1C
Isomeric SMILES
CC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2)O)OC

Synonyms

  • (E)-1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-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
284.31 g/molcalc.
Exact mass
284.1049 Dacalc.
LogP (octanol/water)
3.31calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.12calc.
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=C(C=Cc1ccccc1)c1ccccc1

O=C(C=Cc1ccccc1)c1ccccc1

2 rings, 16 atoms.

2,316 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.

Triangularin suppliers

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Triangularin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Triangularin is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Triangularin?

Triangularin has been reported in Comptonia peregrina.

What is the CAS number of Triangularin?

The CAS registry number of Triangularin is 67777-33-7.

What is the molecular formula and weight of Triangularin?

The molecular formula of Triangularin is C17H16O4 and its molar mass is 284.31 g/mol.

Is Triangularin hazardous?

No GHS hazard classification for Triangularin 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 Triangularin?

Triangularin is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Triangularin?

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What is the price of Triangularin?

Suppliers quote Triangularin 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 Triangularin

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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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