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Scutellarin

Also known as Breviscapin, Scutellarein-7-glucuronide, Scutellarin B

CAS 27740-01-8Formula C21H18O12Molar mass 462.36 g/mol
Scutellarin chemical structure, C21H18O12, CAS 27740-01-8
2D chemical structure

Key facts

What buyers check first

CAS number
27740-01-8
Formula
C21H18O12
Molar mass
462.36 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Scutellarin?

Plain description, key identifiers and synonyms

Scutellarin is the glycosyloxyflavone which is the 7-O-glucuronide of scutellarein. It has a role as an antineoplastic agent and a proteasome inhibitor. It is a glucosiduronic acid, a trihydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a scutellarein. It is a conjugate acid of a scutellarin(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS number
27740-01-8Other or deprecated CAS: 116122-36-2
Molecular formula
C21H18O12
UNII
16IGP0ML9A
InChIKey
DJSISFGPUUYILV-ZFORQUDYSA-N
InChI
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
Canonical SMILES
O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)C(O)C1O
Isomeric SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O

Synonyms

  • Breviscapin
  • Scutellarein-7-glucuronide
  • Scutellarin B
  • Scutellarein 7-glucuronide
  • Scutellarein-7beta-D-glucuronide
  • Scutellarein 7-beta-D-glucuronide
  • Scutellarein-7beta-D-glucuronoside
  • Scutellarein-7-O-beta-D-glucuronide
  • Scutellarein 7-O-beta-D-glucuronide
  • scutellarein-7-O-glucuronide
  • beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
  • (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • Flavone, 4',5,6,7-tetrahydroxy-, 7-beta-D-glucopyranuronoside
  • 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
  • Glucopyranosiduronic acid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, beta-D-
  • scutellarein-7-O-beta-glucuronide
  • (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • scutellarein 7-beta-D-glucuronoside
  • (3S,4S,6S)-6-(5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate
  • scutellarein 7-O-beta-D-glucuronate
  • (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • Scutellarein 7-o-glucuronide
  • dengzhanhua
Show all 31 synonyms
  • new-breviscapine
  • Scutellarin (Standard)
  • Scutellarin, analytical standard
  • 4',5,6,7-Tetrahydroxyflavone 7-|A-D-Glucopyranuronoside
  • Scutellarein glucuronide
  • 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-4-one-7-b-D-glucuronide

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
462.36 g/molcalc.
Exact mass
462.0798 Dacalc.
LogP (octanol/water)
-0.15calc.
Topological polar surface area
207.4 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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)oc2cc(OC3CCCCO3)ccc12

O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

4 rings, 24 atoms.

144 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.

Scutellarin suppliers

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Where suppliers are based

8 suppliers in 2 countries

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Scutellarin 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

  • antineoplastic agent
  • pharmaceutical
  • proteasome 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 Scutellarin 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 Scutellarin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Scutellarin?

Scutellarin is the glycosyloxyflavone which is the 7-O-glucuronide of scutellarein. It has a role as an antineoplastic agent and a proteasome inhibitor. It is a glucosiduronic acid, a trihydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a scutellarein.

What is the CAS number of Scutellarin?

The CAS registry number of Scutellarin is 27740-01-8. Other or deprecated CAS numbers: 116122-36-2.

What is the molecular formula and weight of Scutellarin?

The molecular formula of Scutellarin is C21H18O12 and its molar mass is 462.36 g/mol.

What is Scutellarin used for?

Known uses and roles of Scutellarin include antineoplastic agent, pharmaceutical and proteasome inhibitor.

Is Scutellarin hazardous?

No GHS hazard classification for Scutellarin 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 Scutellarin?

Scutellarin 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 Scutellarin?

CompoundList lists 8 suppliers of Scutellarin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Scutellarin?

Suppliers quote Scutellarin 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

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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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