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Screening compounds

Aiphanol

Also known as 5-{(E)-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol, 5-((E)-2-((2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)benzene-1,3-diol, 5-[(E)-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol

CAS 353482-13-0Formula C25H24O8Molar mass 452.46 g/mol
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Aiphanol chemical structure, C25H24O8, CAS 353482-13-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
353482-13-0
Formula
C25H24O8
Molar mass
452.46 g/mol
HS code
293299
Category
Screening compounds

What is Aiphanol?

Plain description, key identifiers and synonyms

Aiphanol is a lignan that is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol which is substituted by a 2-(3,5-dihydroxyphenyl)ethenyl group at position 6 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 3. It is a stilbenolignan isolated from the seeds of Aiphanes aculeata and exhibits potent inhibitory efficacy against cyclooxygenase-1 and -2 (COX-1 and COX-2). It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a lignan, a stilbenoid, an aromatic ether and a benzodioxine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(E)-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol
CAS number
353482-13-0Other or deprecated CAS: 578020-29-8
Molecular formula
C25H24O8
InChIKey
KDMFHGGHQLUIRH-OOODPRFPSA-N
InChI
InChI=1S/C25H24O8/c1-30-21-10-16(11-22(31-2)24(21)29)25-23(13-26)32-19-6-5-14(9-20(19)33-25)3-4-15-7-17(27)12-18(28)8-15/h3-12,23,25-29H,13H2,1-2H3/b4-3+/t23-,25-/m1/s1
SMILES
COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)/C=C/C4=CC(=CC(=C4)O)O)CO

Synonyms

  • 5-{(E)-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol
  • 5-((E)-2-((2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl)benzene-1,3-diol
  • 5-[(E)-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]benzene-1,3-diol
  • (+)-aiphanol
  • ( inverted exclamation markA)-Aiphanol
  • Rac-Aiphanol

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
452.46 g/molcalc.
Exact mass
452.1471 Dacalc.
LogP (octanol/water)
3.86calc.
Topological polar surface area
117.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C(=Cc1ccc2c(c1)OC(c1ccccc1)CO2)c1ccccc1

C(=Cc1ccc2c(c1)OC(c1ccccc1)CO2)c1ccccc1

4 rings, 24 atoms.

No other chemical in our database has 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.

Aiphanol suppliers

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Aiphanol 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

Roles

  • enzyme inhibitor

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

Frequently asked questions

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

What is Aiphanol?

Aiphanol is a lignan that is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol which is substituted by a 2-(3,5-dihydroxyphenyl)ethenyl group at position 6 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 3.

What is the CAS number of Aiphanol?

The CAS registry number of Aiphanol is 353482-13-0. Other or deprecated CAS numbers: 578020-29-8.

What is the molecular formula and weight of Aiphanol?

The molecular formula of Aiphanol is C25H24O8 and its molar mass is 452.46 g/mol.

What is Aiphanol used for?

Known uses and roles of Aiphanol include building blocks in research and laboratory, screening compounds in research and laboratory and enzyme inhibitor.

Is Aiphanol hazardous?

No GHS hazard classification for Aiphanol 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 Aiphanol?

Aiphanol 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 Aiphanol?

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

What is the price of Aiphanol?

Suppliers quote Aiphanol 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 Aiphanol

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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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