Specnuezhenide - ≥98% , CAS No.449733-84-0

CAS: 449733-84-0 Cat. No.: S414327 Peso molecular: 686.66 PubChem CID: 11146840

GRADE & PURITY ≥98%

Synonyms

methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate | Specnuezhenide | Nuezhenide |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Information

Specnuezhenide (Nuezhenide), one of the main ingredients of Chinese medicine, has anti-angiogenic and vision improvement effects.

Specifications

Sinónimos

methyl (4S, 5Z, 6S)-5-ethylidene-4-[2-oxo-2-[[(2R, 3S, 4S, 5R, 6R)-3, 4, 5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate | Specnuezhenide | Nuezhenide |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Specnuezhenide (Nuezhenide), one of the main ingredients of Chinese medicine, has anti-angiogenic and vision improvement effects.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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

≥98%

Propiedades del producto

• ALogP: -1.339
• Recuento HBD: 8
• Enlace rotable: 14

Nombres e identificadores

• Pubchem Sid: 504766073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766073
• Sonrisas canónicas: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(C(C(O3)OCCC4=CC=C(C=C4)O)O)O)O
• IUPAC Name: methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
• InChIKey: STKUCSFEBXPTAY-GSUVRYNNSA-N
• INCHI: 1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3-/t17-,19+,20+,22+,23+,24-,25-,26+,27+,29-,30+,31-/m0/s1
• Isómeros SMILES: C/C=C\1/[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OCCC4=CC=C(C=C4)O)O)O)O
• PubChem CID: 11146840
• Peso molecular: 686.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Saccharolipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Saccharolipids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saccharolipids
• Alternative Parents: Terpene glycosides O-glycosyl compounds Tyrosols and derivatives Aromatic monoterpenoids Iridoids and derivatives Monocyclic monoterpenoids 1-hydroxy-2-unsubstituted benzenoids Sugar acids and derivatives Benzene and substituted derivatives Dicarboxylic acids and derivatives Monosaccharides Oxanes Methyl esters Enoate esters Vinylogous esters Secondary alcohols Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Saccharolipid - Terpene glycoside - Glycosyl compound - Secoiridoid-skeleton - O-glycosyl compound - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Tyrosol derivative - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sugar acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Benzenoid - Methyl ester - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as saccharolipids. These are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.
• 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

Objetivos asociados (humanos)

IL2 Tchem Interleukin-2 (1 Activities)

Discover Target: IL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Objetivos asociados (no humanos)

Il2 Interleukin-2 (29 Activities)

Discover Target: Il2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (145.63 mM)
• Sensibilidad: Light sensitive
• DMSO (mg/ml) Solubilidad máxima: 10
• DMSO (mM) Solubilidad máxima: 14.5633546559292
• Peso molecular: 686.700 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 14
• Exact Mass: 686.242 Da
• Monoisotopic Mass: 686.242 Da
• Topological Polar Surface Area: 261.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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

Referencias

1. Jiahong Han, Min Dai, Yan Zhao, Enbo Cai, Lianxue Zhang, Xiaohuan Jia, Nian Sun, Xuan Fei, Hui Shu.  (2019)  Compatibility effects of ginseng and Ligustrum lucidum Ait herb pair on hematopoietic recovery in mice with cyclophosphamide-induced myelosuppression and its material basis.  Journal of Ginseng Research,      [PMID:32148411] [10.1016/j.jgr.2019.01.001]