Chrysoobtusin - ≥98% , CAS No.70588-06-6

CAS: 70588-06-6 Cat. No.: C664244 Molecular Weight: 358.35 PubChem CID: 155381

GRADE & PURITY ≥98%

Synonyms

2-Hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone | 2-Hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione | Chryso-obtusin

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Chrysoobtusin is an anthraquinone derivative isolated from Cassia seeds. Semen Cassiae has long been used for liver protection, improving eyesight, and promoting bowel movements.

Specifications

Synonyms

2-Hydroxy-1, 6, 7, 8-tetramethoxy-3-methylanthraquinone | 2-Hydroxy-1, 6, 7, 8-tetramethoxy-3-methylanthracene-9, 10-dione | Chryso-obtusin

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: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC
• IUPAC Name: 2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione
• InChIKey: ZMDXTRSTKHTSCE-UHFFFAOYSA-N
• INCHI: 1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3
• Isomeric SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC
• PubChem CID: 155381
• Molecular Weight: 358.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyanthraquinones
• Alternative Parents: Aryl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
• External Descriptors: Anthraquinone type

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)

EPHX2 Tchem Epoxide hydratase (3844 Activities)

Discover Target: EPHX2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 358.300 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 358.105 Da
• Monoisotopic Mass: 358.105 Da
• Topological Polar Surface Area: 91.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 550.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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