Sibiricose A5 - ≥95% , CAS No.107912-97-0

CAS: 107912-97-0 Cat. No.: S418603 Peso molecular: 518.47 PubChem CID: 6326020

GRADE & PURITY ≥95%

Synonyms

SibiricoseA5 | (2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | NCGC00384564-01 | DTXSID301347739 | Sibirico

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Sibiricose A5 displays antidepressant-like action, it may prevent or relieve depression. Sibiricose A5 is a lactate dehydrogenase inhibitor. Sibiricose A5 can protect PC12 cells damage induced by P. tenuifolia. Sibiricose A5 shows potent antioxidant activity.

Specifications

Sinónimos

SibiricoseA5 | (2S, 3S, 4R, 5R)-4-Hydroxy-2, 5-bis(hydroxymethyl)-2-(((2R, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | NCGC00384564-01 | DTXSID301347739 | Sibirico

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Sibiricose A5 has potent antioxidant activity. It is a lactate dehydrogenase inhibitor, it displays antidepressant-like actions and it is active against Alzheimer′s disease.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Propiedades del producto

• ALogP: -2.058
• Recuento HBD: 8
• Enlace rotable: 10

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O
• IUPAC Name: [(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChIKey: ZPEADZHVGOCGKH-YQTDNFGYSA-N
• INCHI: 1S/C22H30O14/c1-32-12-6-10(2-4-11(12)26)3-5-15(27)34-20-17(29)14(8-24)35-22(20,9-25)36-21-19(31)18(30)16(28)13(7-23)33-21/h2-6,13-14,16-21,23-26,28-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
• Isómeros SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O
• PubChem CID: 6326020
• Peso molecular: 518.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid esters C-glycosyl compounds Disaccharides O-glycosyl compounds Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Styrenes 1-hydroxy-2-unsubstituted benzenoids Ketals Alkyl aryl ethers Fatty acid esters Oxanes Oxolanes Enoate esters Secondary alcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid ester - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - C-glycosyl compound - Methoxyphenol - Methoxybenzene - Styrene - Phenol ether - Phenoxy compound - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Ketal - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Ether - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive；Moisture sensitive.
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 192.876976121059
• Peso molecular: 518.500 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 518.164 Da
• Monoisotopic Mass: 518.164 Da
• Topological Polar Surface Area: 225.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 750.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1