Trametenolic acid - ≥98% , CAS No.24160-36-9

CAS: 24160-36-9 Cat. No.: T664655 Molecular Weight: 456.70

GRADE & PURITY ≥98%

Synonyms

trametenolic acid B | 栓菌酸 | 3β-羟基羊毛甾-8,24-二烯-21-酸 | 3-羟基羊毛甾-8,24-二烯-21-酸

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Trametenolic acid is a natural compound extracted from certain fungi that can inhibit the proliferation of tumor cells in vitro and protect the brain against ischemia-reperfusion injury by modulating signaling pathways such as PI3K/Akt/mTOR.

Specifications

Synonyms

trametenolic acid B | 栓菌酸 | 3β-羟基羊毛甾-8, 24-二烯-21-酸 | 3-羟基羊毛甾-8, 24-二烯-21-酸

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C
• IUPAC Name: (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
• InChIKey: NBSBUIQBEPROBM-GIICLEHTSA-N
• INCHI: 1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
• Isomeric SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C
• Alternate CAS: 24160-36-9
• MeSH Entry Terms: trametenolic acid B
• Molecular Weight: 456.70

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Monohydroxy bile acids, alcohols and derivatives Steroid acids 3-beta-hydroxysteroids 14-alpha-methylsteroids Medium-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Steroid acid - 3-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Steroid - Medium-chain fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic homopolycyclic compound
• Description: 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

Associated Targets(Human)

Raji (5516 Activities)

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SiHa (2051 Activities)

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T-24 (2342 Activities)

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Ca-Ski (420 Activities)

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Associated Targets(non-human)

MAL62 Alpha-glucosidase MAL62 (106 Activities)

Discover Target: MAL62

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Human gammaherpesvirus 4 (1538 Activities)

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L1210 (27553 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 456.700 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 456.36 Da
• Monoisotopic Mass: 456.36 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 862.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1