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

CAS: 107912-97-0 Cat. No.: S418603 Summenformel: C₂₂H₃₀O₁₄ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

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.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

ALogP

-2.058

HBD-Zahl

8

Rotationsfähige Bindung

10

Namen und Kennungen

Pubchem Sid

528767282

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

518.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive；Moisture sensitive.
• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 192.876976121059
• Molekulargewicht: 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