Hydroxysafflor yellow A - analytical standard,Moligand™,≥98% , CAS No.78281-02-4

CAS: 78281-02-4 Cat. No.: H117996 Molecular Weight: 612.53 PubChem CID: 6443665

GRADE & PURITY Analytical standard, Moligand™, ≥98%

Synonyms

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 | Hydroxysafflor Yellow A | SCHEMBL21315816 | CHEBI:139030 | HY-N0567 | CCG-270235 | HI7O919OYZ | HSYA | PD087332 | 2,5-Cyclohexadien-1-one,

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Hydroxysafflor yellow A (Safflomin A) is a natural product of flavonoids isolated from safflower. Hydroxysafflor yellow A can inhibit cell proliferation and promote apoptosis through the autophagy pathway. Hydroxysafflor yellow A has anti-inflammatory, antioxidant and antitumor effects. Hydroxysafflor yellow A can be used in the study of cardiovascular disease

Specifications

Synonyms

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 | Hydroxysafflor Yellow A | SCHEMBL21315816 | CHEBI:139030 | HY-N0567 | CCG-270235 | HI7O919OYZ | HSYA | PD087332 | 2, 5-Cyclohexadien-1-one,

Specifications & Purity

analytical standard, Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard, Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
• 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
• InChIKey: IAVUBSCVWHLRGE-UXEKTNMQSA-N
• 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
• 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
• PubChem CID: 6443665
• Molecular Weight: 612.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 C-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: C-glycosyl compounds
• Alternative Parents: Styrenes M-benzoquinones 1-hydroxy-2-unsubstituted benzenoids Cyclohexenones Oxanes Acyloins Monosaccharides Vinylogous acids Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Enols Dialkyl ethers Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: C-glycosyl compound - M-benzoquinone - Quinone - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Acyloin - Vinylogous acid - Tertiary alcohol - Ketone - Cyclic ketone - Secondary alcohol - Oxacycle - Dialkyl ether - Enol - Ether - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 612.500 g/mol
• XLogP3: -3.500
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 612.169 Da
• Monoisotopic Mass: 612.169 Da
• Topological Polar Surface Area: 295.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

References

1. Yulin Li, Anning Yang, Yue Sun, Dayue Liu, Peidong You, Yaling Zeng, Shangkun Quan, Hongwen Zhang, Huiping Zhang, Shengchao Ma, Yinju Hao, Jiantuan Xiong, Bin Liu, Guizhong Li, Yideng Jiang.  (2023)  Hydroxysafflor yellow A-loaded biomimetic liposomes alleviate HHcy-induced atherosclerosis by regulating methylation related autophagy.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2023.111807]

2. Yanhua Tu, Beixuan He, Songyan Gao, Dandan Guo, Xinlei Jia, Xin Dong, Meili Guo.  (2019)  CtACO1 Overexpression Resulted in the Alteration of the Flavonoids Profile of Safflower.  MOLECULES,  24  (6): (1128).  [PMID:30901924] [10.3390/molecules24061128]

3. Feng-Qin Wang, Qian Zhang, Chun-Hong Li, Yin-Zhen Wang, Yuan-Jia Hu, Qi-Hui Zhang, Zhi-Ning Xia, Feng-Qing Yang.  (2015)  Evaluation of affinity interaction between small molecules and platelets by open tubular affinity capillary electrochromatography.  ELECTROPHORESIS,      [PMID:26541914] [10.1002/elps.201500414]

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5. Xingchu Gong, Yao Li, Zhengtai Guo, Haibin Qu.  (2014)  Control the effects caused by noise parameter fluctuations to improve pharmaceutical process robustness: A case study of design space development for an ethanol precipitation process.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2014.05.014]

6. Yong Jiang, Wenjun Ji, Ying Lu, Qin Wang, Linwei Chen.  (2025)  Integrating Plasma Metabolomics, Network Pharmacology, and Experimental Validation to Investigate the Action Mechanism of Qiangxin Lishui Prescription in Chronic Heart Failure.  BIOMEDICAL CHROMATOGRAPHY,  39  (2): (e6065).  [PMID:39748248] [10.1002/bmc.6065]

7. Longping Jin, Kunmei Su, Maliang Zhang, Xi Du, Zhenhuan Li.  (2026)  Homologous sulfonated PPS fibers reinforced PPS membrane for drug purification under harsh environments.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2026.125385]