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

CAS: 862893-75-2 Cat. No.: G646422 분자식: C₃₀H₄₄O₄ 분자량: 468.67 PubChem CID: 11442745

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 분자량: 468.67

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(인간)

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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

관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Vero (26788 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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