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Heterocyclic compounds

Npc79316

Also known as Hydroxysafflor Yellow A, Safflomin A, HSYA

CAS 78281-02-4Formula C27H32O16Molar mass 612.54 g/mol
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Npc79316 chemical structure, C27H32O16, CAS 78281-02-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78281-02-4
Formula
C27H32O16
Molar mass
612.54 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Npc79316?

Plain description, key identifiers and synonyms

Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). It has a role as an antioxidant, an antineoplastic agent, a radical scavenger, a platelet aggregation inhibitor, a neuroprotective agent, an anti-inflammatory agent, an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor and a plant metabolite. It is a C-glycosyl compound, an enol, a member of phenols and an enone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
CAS number
78281-02-4 CAS number cross-checkedOther or deprecated CAS: 146087-19-6
Molecular formula
C27H32O16
UNII
HI7O919OYZ
MDL number
MFCD08435942
InChIKey
IAVUBSCVWHLRGE-UXEKTNMQSA-N
InChI
InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-38,41H,7-8H2/b6-3+,14-11+/t12-,13-,16-,17-,19+,20+,21-,22-,23+,26-,27?/m1/s1
Canonical SMILES
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(O)=C(C2OC(CO)C(O)C(O)C2O)C(=O)C1(O)C1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C1=CC(=CC=C1/C=C/C(=C\2/C(=C(C(=O)C(C2=O)([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)/O)O

Synonyms

  • Hydroxysafflor Yellow A
  • Safflomin A
  • HSYA
  • Hydroxysafflor yellow A (Standard)
  • 2,4-Di-b-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)-2,5-cyclohexadien-1-one
  • 2,5-Cyclohexadien-1-one, 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-
  • 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)]-2,5-cyclohexadien-1-one
  • 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-prop-2-en-1-yl)]cyclohexa-2,5-dien-1-one
  • 2,5-Cyclohexadien-1-one, 2,4-di-beta-d-glucopyranosyl-3,4,5-trihydroxy-6-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-

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
612.54 g/molcalc.
Exact mass
612.169 Dacalc.
LogP (octanol/water)
-4.4calc.
Topological polar surface area
295.4 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
6calc.
Heavy atoms
43calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Fails (3 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=C1C(=CC=Cc2ccccc2)C=C(C2CCCCO2)C(=O)C1C1CCCCO1

O=C1C(=CC=Cc2ccccc2)C=C(C2CCCCO2)C(=O)C1C1CCCCO1

4 rings, 29 atoms.

10 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.

Npc79316 suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 1 country

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Npc79316 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

  • anti-inflammatory agent
  • antineoplastic agent
  • antioxidant
  • enzyme inhibitor
  • eukaryotic metabolite
  • hematologic agent
  • metabolite
  • neuroprotective agent
  • pharmaceutical
  • plant metabolite
  • platelet aggregation inhibitor
  • protective agent
  • radical scavenger

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 Npc79316 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 Npc79316 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc79316, based on the data on this page

What is Npc79316?

Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6.

What is the CAS number of Npc79316?

The CAS registry number of Npc79316 is 78281-02-4. Other or deprecated CAS numbers: 146087-19-6.

What is the molecular formula and weight of Npc79316?

The molecular formula of Npc79316 is C27H32O16 and its molar mass is 612.54 g/mol.

What is Npc79316 used for?

Known uses and roles of Npc79316 include anti-inflammatory agent, antineoplastic agent, antioxidant, enzyme inhibitor, eukaryotic metabolite and 8 more.

Is Npc79316 hazardous?

No GHS hazard classification for Npc79316 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 Npc79316?

Npc79316 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 Npc79316?

CompoundList lists 3 suppliers of Npc79316 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 Npc79316?

Suppliers quote Npc79316 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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