CompoundList
Sign in
Flavonoids and polyphenols

Phyllospadine

Also known as 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)chromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)-4H-1-benzopyran-4-one

CAS 76540-48-2Formula C21H21NO6Molar mass 383.40 g/mol
Get quotes Safety data
Phyllospadine chemical structure, C21H21NO6, CAS 76540-48-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76540-48-2
Formula
C21H21NO6
Molar mass
383.40 g/mol
HS code
293979
Category
Flavonoids and polyphenols

What is Phyllospadine?

Plain description, key identifiers and synonyms

Phyllospadine is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy group at position 6 and a 1-methylpyrrolidin-2-yl group at position 8. It has a role as a plant metabolite. It is an alkaloid, a monomethoxyflavone, a trihydroxyflavone and a member of pyrrolidines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)chromen-4-one
CAS number
76540-48-2 CAS number cross-checked
Molecular formula
C21H21NO6
InChIKey
MHPSUMPGWBYSSV-UHFFFAOYSA-N
InChI
InChI=1S/C21H21NO6/c1-22-9-3-4-13(22)16-18(25)21(27-2)19(26)17-14(24)10-15(28-20(16)17)11-5-7-12(23)8-6-11/h5-8,10,13,23,25-26H,3-4,9H2,1-2H3
SMILES (canonical and isomeric)
CN1CCCC1C2=C3C(=C(C(=C2O)OC)O)C(=O)C=C(O3)C4=CC=C(C=C4)O

Synonyms

  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)-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
383.40 g/molcalc.
Exact mass
383.1369 Dacalc.
LogP (octanol/water)
3.35calc.
Topological polar surface area
103.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
28calc.
Rings
4calc.
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=c1cc(-c2ccccc2)oc2c(C3CCCN3)cccc12

O=c1cc(-c2ccccc2)oc2c(C3CCCN3)cccc12

4 rings, 22 atoms.

1 other chemical 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.

Phyllospadine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Phyllospadine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Phyllospadine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Phyllospadine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Phyllospadine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Phyllospadine?

Phyllospadine is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy group at position 6 and a 1-methylpyrrolidin-2-yl group at position 8. It has a role as a plant metabolite. It is an alkaloid, a monomethoxyflavone, a trihydroxyflavone and a member of pyrrolidines.

What is the CAS number of Phyllospadine?

The CAS registry number of Phyllospadine is 76540-48-2.

What is the molecular formula and weight of Phyllospadine?

The molecular formula of Phyllospadine is C21H21NO6 and its molar mass is 383.40 g/mol.

What is Phyllospadine used for?

Known uses and roles of Phyllospadine include eukaryotic metabolite, metabolite and plant metabolite.

Is Phyllospadine hazardous?

No GHS hazard classification for Phyllospadine 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 Phyllospadine?

Phyllospadine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phyllospadine?

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

What is the price of Phyllospadine?

Suppliers quote Phyllospadine 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 Phyllospadine

Get quotes for Phyllospadine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Phyllospadine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Phyllospadine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/phyllospadine-76540-48-2" title="Phyllospadine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Flavonoids and polyphenols or HS code 293979

Price on request
Free quotes, contact stays private
Get quotes