Harpagoside - Analytical standard, Moligand™, ≥98% , CAS No.19210-12-9

CAS: 19210-12-9 Cat. No.: H115697 Formula: C₂₄H₃₀O₁₁ Peso molecolare: 494.49 Numero EC: 242-881-6 PubChem CID: 5281542

QUALITÀ & PUREZZA Analytical standard, Moligand™, ≥98%

Synonyms

EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | CHEBI:5625 | Prestwick3_000988 | Harpagoside, analytical standard | HY-N0396 | DTXSID101032528 | HARPAGOSIDE [INCI] | Harpaside | NCGC00179

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Application： 

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Specifiche

Sinonimi

EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | CHEBI:5625 | Prestwick3_000988 | Harpagoside, analytical standard | HY-N0396 | DTXSID101032528 | HARPAGOSIDE [INCI] | Harpaside | NCGC00179

Specifiche e purezza

Analytical standard, Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

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Grado

Moligand™, Standard analitico

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528770895

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770895

Sorrisi canonici

CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4

IUPAC Name

[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate

InChIKey

KVRQGMOSZKPBNS-FMHLWDFHSA-N

INCHI

1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1

Isomeri SMILES

C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4

WGK Germania

3

PubChem CID

5281542

Peso molecolare

494.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Iridoid O-glycosides
• Alternative Parents: Cinnamic acid esters Hexoses O-glycosyl compounds Aromatic monoterpenoids Bicyclic monoterpenoids Iridoids and derivatives Styrenes Fatty acid esters Oxanes Enoate esters Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Iridoid o-glycoside - Cinnamic acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Glycosyl compound - Iridoid-skeleton - O-glycosyl compound - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Styrene - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Primary alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton.
• External Descriptors: Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids

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

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Discover Target: PTGS1

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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HUVEC (11049 Activities)

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BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

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

CTNNB1 Tchem Catenin beta-1 (517 Activities)

Discover Target: CTNNB1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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TNFSF11 Tclin Tumor necrosis factor ligand superfamily member 11 (138 Activities)

Discover Target: TNFSF11

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RAW264.7 (28094 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Syk Syk protein (40 Activities)

Discover Target: Syk

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Plcg2 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 (3 Activities)

Discover Target: Plcg2

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive;Heat sensitive
• Peso molecolare: 494.500 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 494.179 Da
• Monoisotopic Mass: 494.179 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 811.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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