HU-331 - ≥95% , CAS No.137252-25-6

CAS: 137252-25-6 Cat. No.: H276258 Molecular Weight: 328.45 EC Number: 844-777-1 PubChem CID: 11393311

GRADE & PURITY ≥95%

Synonyms

DTXSID10929758 | Cannabidiol hydroxyquinone (CBDHQ) 100 microg/mL in Acetonitrile | SR-01000946715-1 | BDBM50541572 | CBDHQ | J-006987 | Cannabidiol hydroxyquinone (CBDHQ) | 2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-(3-methyl-6-(1-methylethenyl)-2-cyclohe

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C (desiccating conditions).

Specifications

Synonyms

DTXSID10929758 | Cannabidiol hydroxyquinone (CBDHQ) 100 microg/mL in Acetonitrile | SR-01000946715-1 | BDBM50541572 | CBDHQ | J-006987 | Cannabidiol hydroxyquinone (CBDHQ) | 2, 5-Cyclohexadiene-1, 4-dione, 3-hydroxy-2-(3-methyl-6-(1-methylethenyl)-2-cyclohe

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Potent cannabinoid quinone (EC 50 = 0.2 μg/ml) with antineoplastic activity; antitumoriogenic and antiangiogenic in vitro and in vivo . Highly specific inhibitor of topoisomerase II.

Storage

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.

Action Type

INHIBITOR

Note

Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 6 months. 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

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CCC2C(=C)C)C
• IUPAC Name: 3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
• InChIKey: WDXXEUARVHTWQF-DLBZAZTESA-N
• INCHI: 1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
• Isomeric SMILES: CCCCCC1=CC(=O)C(=C(C1=O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C
• PubChem CID: 11393311
• Molecular Weight: 328.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prenylquinones
• Alternative Parents: Monocyclic monoterpenoids Menthane monoterpenoids P-benzoquinones Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Prenylbenzoquinone - Monocyclic monoterpenoid - Monoterpenoid - P-menthane monoterpenoid - Quinone - P-benzoquinone - Vinylogous acid - Cyclic ketone - Ketone - Enol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Supplied in methyl acetate (10 mg/ml)
• Molecular Weight: 328.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 328.204 Da
• Monoisotopic Mass: 328.204 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 646.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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