Herboxidiene , CAS No.142861-00-5

CAS: 142861-00-5 Cat. No.: H346616 Fórmula: C₂₅H₄₂O₆ Peso molecular: 438.61 PubChem CID: 6438496

Synonyms

GEX1A compound | GEX 1A | HY-19828 | 2H-Pyran-2-acetic acid, tetrahydro-6-(6-(3-(3-hydroxy-2-methoxy-1-methylbutyl)-2-methyloxiranyl)-1,5-dimethyl-1,3-hexadienyl)-5-methyl- | QSB7EM5EUD | SCHEMBL729509 | L-GLYCERO-L-GLUCO-HEPTITOL, 5,6-ANHYDRO-6-C-((2S,3E

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

GEX1A compound | GEX 1A | HY-19828 | 2H-Pyran-2-acetic acid, tetrahydro-6-(6-(3-(3-hydroxy-2-methoxy-1-methylbutyl)-2-methyloxiranyl)-1,5-dimethyl-1,3-hexadienyl)-5-methyl- | QSB7EM5EUD | SCHEMBL729509 | L-GLYCERO-L-GLUCO-HEPTITOL, 5,6-ANHYDRO-6-C-((2S,3E

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Nomes e identificadores

• Sorrisos canónicos: CC1CCC(OC1C(=CC=CC(C)CC2(C(O2)C(C)C(C(C)O)OC)C)C)CC(=O)O
• IUPAC Name: 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
• InChIKey: ISZXEMUWHQLLTC-LSIVYLFASA-N
• INCHI: 1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1
• SMILES isoméricas: C[C@H]1CC[C@@H](O[C@@H]1/C(=C/C=C/[C@@H](C)C[C@@]2([C@H](O2)[C@H](C)[C@H]([C@@H](C)O)OC)C)/C)CC(=O)O
• PubChem CID: 6438496
• Peso molecular: 438.61

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: Diterpene glycosides
• Alternative Parents: Diterpenoids Oxanes Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Diterpene glycoside - Diterpenoid - Oxane - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
• 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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 438.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 438.298 Da
• Monoisotopic Mass: 438.298 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 658.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 142861-00-5, the molecular formula is C25H42O6, and the molecular weight is 438.61 g/mol. InChIKey ISZXEMUWHQLLTC-LSIVYLFASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.