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

CAS: 78281-02-4 Cat. No.: H117996 Formule: C₂₇H₃₂O₁₆ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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,

Spécifications et pureté

analytical standard,Moligand™,≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard, Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528774721

Sourires canoniques

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

Isomères 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

Poids moléculaire

612.53

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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