Ganoderic acid TR - ≥98% , CAS No.862893-75-2

CAS: 862893-75-2 Cat. No.: G646422 分子式: C₃₀H₄₄O₄ 分子量: 468.67 PubChem CID: 11442745

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Ganoderic acid TR is a broad-spectrum inhibitor against influenza neuraminidases (NAs) , particularly H5N1 and H1N1 neuraminidases. The IC 50 values of 10.9 and 4.6 μM, respectively

Form:Solid

IC50& Target:IC50: 10.9 (H5N1), 4.6 μM (H1N1)

Specifications

仕様と純度

≥98%

生化学的・生理学的メカニズム

Ganoderic acid TR is a broad-spectrum inhibitor against influenza neuraminidases (NAs) , particularly H5N1 and H1N1 neuraminidases. The IC 50 values of 10.9 and 4.6 μM, respectively.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)O
• IUPAC Name: (E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
• InChIKey: SNZQBBATMLGADX-VVUVUVSISA-N
• INCHI: 1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23+,25+,28-,29-,30-/m1/s1
• 異性体SMILES: C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
• PubChem CID: 11442745
• 分子量: 468.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Monohydroxy bile acids, alcohols and derivatives Steroid acids 14-alpha-methylsteroids 3-oxo delta-7-steroids 3-oxo-5-alpha-steroids Hydroxysteroids Delta-7-steroids Medium-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Cyclic ketones Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - Steroid acid - Hydroxysteroid - 3-oxo-5-alpha-steroid - 3-oxo-delta-7-steroid - 15-hydroxysteroid - Oxosteroid - 14-alpha-methylsteroid - 3-oxosteroid - Delta-7-steroid - Steroid - Medium-chain fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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作用メカニズム

化学的性質と物理的性質

• 分子量: 468.700 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 468.324 Da
• Monoisotopic Mass: 468.324 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 984.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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