Ferulenol - ≥98% , CAS No.6805-34-1

CAS: 6805-34-1 Cat. No.: F274939 Molecular Weight: 366.49

GRADE & PURITY ≥98%

Synonyms

HB3895 | Ferulenol | SCHEMBL5309695 | NSC655150 | NSC-655150 | 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-4-one | NSC 655150 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]- | 4-Hydroxy-3-((2

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

HB3895 | Ferulenol | SCHEMBL5309695 | NSC655150 | NSC-655150 | 2-hydroxy-3-[(2E, 6E)-3, 7, 11-trimethyldodeca-2, 6, 10-trienyl]chromen-4-one | NSC 655150 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-[(2E, 6E)-3, 7, 11-trimethyl-2, 6, 10-dodecatrien-1-yl]- | 4-Hydroxy-3-((2

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

ATP synthesis inhibitor. Potent antibiotic agent. Tubulin polymerization stimulator. Selective succinate ubiquinone reductase inhibitor. Induces mPTP opening and disrupts mitochondrial membrane potential. Shows cytotoxic effects against cancer cell lines.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=CCCC(=CCCC(=CCC1=C(C2=CC=CC=C2OC1=O)O)C)C)C
• IUPAC Name: 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
• InChIKey: NJJDBBUWWOAOLD-CFBAGHHKSA-N
• INCHI: 1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC1=C(C2=CC=CC=C2OC1=O)O)/C)/C)C
• Molecular Weight: 366.49
• Reaxy-Rn: 1264626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1264626&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Sesquiterpenoids 4-hydroxycoumarins 1-benzopyrans Pyranones and derivatives Benzenoids Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Terpene lactone - Farsesane sesquiterpenoid - Sesquiterpenoid - 4-hydroxycoumarin - Hydroxycoumarin - Coumarin - Benzopyran - 1-benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in ethanol and in DMSO
• Sensitivity: light sensitive
• Molecular Weight: 366.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 366.219 Da
• Monoisotopic Mass: 366.219 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 645.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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