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Flavonoids and polyphenols

Nirurinetin

Also known as (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, (2S)-5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one

CAS 96253-70-2Formula C20H20O6Molar mass 356.37 g/mol
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Nirurinetin chemical structure, C20H20O6, CAS 96253-70-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
96253-70-2
Formula
C20H20O6
Molar mass
356.37 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Nirurinetin?

Plain description, key identifiers and synonyms

Nirurinetin has been reported in Phyllanthus niruri.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CAS number
96253-70-2 CAS number cross-checked
Molecular formula
C20H20O6
InChIKey
JNPUBFNFLJGQTL-HNNXBMFYSA-N
InChI
InChI=1S/C20H20O6/c1-10(2)3-8-13-17(23)19(25)18(24)16-14(22)9-15(26-20(13)16)11-4-6-12(21)7-5-11/h3-7,15,21,23-25H,8-9H2,1-2H3/t15-/m0/s1
Canonical SMILES
CC(C)=CCc1c(O)c(O)c(O)c2c1OC(c1ccc(O)cc1)CC2=O
Isomeric SMILES
CC(=CCC1=C(C(=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)O)O)C

Synonyms

  • (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
  • (2S)-5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-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
356.37 g/molcalc.
Exact mass
356.126 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
107.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
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=C1CC(c2ccccc2)Oc2ccccc21

O=C1CC(c2ccccc2)Oc2ccccc21

3 rings, 17 atoms, the Flavanone ring system.

742 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.

Nirurinetin suppliers

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

Frequently asked questions

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

What is Nirurinetin?

Nirurinetin has been reported in Phyllanthus niruri.

What is the CAS number of Nirurinetin?

The CAS registry number of Nirurinetin is 96253-70-2.

What is the molecular formula and weight of Nirurinetin?

The molecular formula of Nirurinetin is C20H20O6 and its molar mass is 356.37 g/mol.

Is Nirurinetin hazardous?

No GHS hazard classification for Nirurinetin 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 Nirurinetin?

Nirurinetin 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 Nirurinetin?

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What is the price of Nirurinetin?

Suppliers quote Nirurinetin 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 Nirurinetin

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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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