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Screening compounds

Isoconiferin

Also known as 2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrahydropyran-3,4,5-triol

CAS 65995-51-9Formula C16H22O7Molar mass 326.35 g/mol
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Isoconiferin chemical structure, C16H22O7, CAS 65995-51-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65995-51-9
Formula
C16H22O7
Molar mass
326.35 g/mol
HS code
293299
Category
Screening compounds

What is Isoconiferin?

Plain description, key identifiers and synonyms

Isoconiferin is a chemical substance with the molecular formula C16H22O7 and a molar mass of 326.35 g/mol. Its CAS registry number is 65995-51-9. The IUPAC name is 2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-3,4,5-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-3,4,5-triol
CAS number
65995-51-9
Molecular formula
C16H22O7
InChIKey
KEOQVSSHVYLFJO-ONEGZZNKSA-N
InChI
InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3-7,12-20H,8H2,1-2H3/b4-3+
Canonical SMILES
CC=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1
Isomeric SMILES
C/C=C/C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC

Synonyms

  • 2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrahydropyran-3,4,5-triol

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
326.35 g/molcalc.
Exact mass
326.1366 Dacalc.
LogP (octanol/water)
-0.09calc.
Topological polar surface area
108.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1ccc(OC2CCCCO2)cc1

c1ccc(OC2CCCCO2)cc1

2 rings, 13 atoms, the 2H-Pyran, tetrahydro-2-phenoxy- ring system.

1,051 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.

Isoconiferin suppliers

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

Frequently asked questions

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

What is Isoconiferin?

Isoconiferin is a chemical substance with the molecular formula C16H22O7 and a molar mass of 326.35 g/mol. Its CAS registry number is 65995-51-9. The IUPAC name is 2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-3,4,5-triol.

What is the CAS number of Isoconiferin?

The CAS registry number of Isoconiferin is 65995-51-9.

What is the molecular formula and weight of Isoconiferin?

The molecular formula of Isoconiferin is C16H22O7 and its molar mass is 326.35 g/mol.

What is Isoconiferin used for?

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

Is Isoconiferin hazardous?

No GHS hazard classification for Isoconiferin 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 Isoconiferin?

Isoconiferin 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 Isoconiferin?

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

What is the price of Isoconiferin?

Suppliers quote Isoconiferin 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 Isoconiferin

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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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