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Screening compounds

Notopterol

Also known as 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one, 4-((2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy)furo(3,2-g)chromen-7-one, (E)-4-((5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one

CAS 88206-46-6Formula C21H22O5Molar mass 354.40 g/mol
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Notopterol chemical structure, C21H22O5, CAS 88206-46-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
88206-46-6
Formula
C21H22O5
Molar mass
354.40 g/mol
HS code
293220
Category
Screening compounds

What is Notopterol?

Plain description, key identifiers and synonyms

Notopterol is a furanocoumarin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CAS number
88206-46-6
Molecular formula
C21H22O5
MDL number
MFCD23701669
InChIKey
BKIACVAZUKISOR-MKMNVTDBSA-N
InChI
InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
Canonical SMILES
CC(C)=CC(O)CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12
Isomeric SMILES
CC(=CC(C/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)O)C

Synonyms

  • 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
  • 4-((2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy)furo(3,2-g)chromen-7-one
  • (E)-4-((5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((5-hydroxy-3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-
  • (E)-4-[(5-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
  • Notopterol [M+H]+
  • Notopterol (Standard)
  • 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,
  • 4-[(2E)-5-hydroxy-3,7-dimethyl-octa-2,6-dienoxy]furo[3,2-g]chromen-7-one
  • 4-{[(2E)-5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
  • 4-{[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-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
354.40 g/molcalc.
Exact mass
354.1467 Dacalc.
LogP (octanol/water)
4.58calc.
Topological polar surface area
72.81 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
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=c1ccc2cc3ccoc3cc2o1

O=c1ccc2cc3ccoc3cc2o1

3 rings, 14 atoms, the Psoralen ring system.

431 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.

Notopterol suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Notopterol 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 Notopterol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Notopterol?

Notopterol is a furanocoumarin.

What is the CAS number of Notopterol?

The CAS registry number of Notopterol is 88206-46-6.

What is the molecular formula and weight of Notopterol?

The molecular formula of Notopterol is C21H22O5 and its molar mass is 354.40 g/mol.

What is Notopterol used for?

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

Is Notopterol hazardous?

No GHS hazard classification for Notopterol 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 Notopterol?

Notopterol is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Notopterol?

CompoundList lists 2 suppliers of Notopterol in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Notopterol?

Suppliers quote Notopterol 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 Notopterol

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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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