Hydroxysafflor yellow A - Moligand™,10mM in DMSO , CAS No.78281-02-4

CAS: 78281-02-4 Cat. No.: H425940 分子式: C₂₇H₃₂O₁₆ 分子量: 612.53 PubChem CID: 6443665

GRADE & PURITY Moligand™, 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

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,

仕様と純度

Moligand™,10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

名前と識別子

• カノニカル・スマイル: 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
• 異性体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
• 分子量: 612.53

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

参考文献

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]

4. Binjun Yan, Haibin Qu.  (2015)  Rapid screening of critical process parameters based on near infrared spectroscopy: a case study of the ethanol precipitation process.  Analytical Methods,  7  (11): (4616-4620).  [PMID:] [10.1039/C5AY00337G]

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]