Nuzhenide - 10mM in DMSO , CAS No.39011-92-2

CAS: 39011-92-2 Cat. No.: N423804 Peso molecular: 686.66 PubChem CID: 91895359

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS030573636 | CHEBI:183956 | DTXSID501346301 | (2S,4S,E)-Methyl 3-ethylidene-4-(2-oxo-2-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-2-yl)methoxy)ethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Nuzhenide (Specnuezhenide), a major component of olive seeds, is a member of the class of compounds known as saccharolipids. It has strong antioxidant activity.

Specifications

Sinónimos

AKOS030573636 | CHEBI:183956 | DTXSID501346301 | (2S, 4S, E)-Methyl 3-ethylidene-4-(2-oxo-2-(((2R, 3S, 4S, 5R, 6R)-3, 4, 5-trihydroxy-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-2-yl)methoxy)ethyl)-2-(((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)tetrahydro-

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Nuzhenide (Specnuezhenide), a major component of olive seeds, is a member of the class of compounds known as saccharolipids. It has strong antioxidant activity.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Propiedades del producto

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

Nombres e identificadores

• 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,5E,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-DTYPFZMBSA-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: 91895359
• 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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 145.632481868756
• Agua (mg/ml) Solubilidad máxima: -1
• 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