Rubiadin - ≥98% , CAS No.117-02-2

CAS: 117-02-2 Cat. No.: R334597 分子式: C₁₅H₁₀O₄ 分子量: 254.24 EC番号: 683-093-6 PubChem CID: 124062

GRADE & PURITY ≥98%

Synonyms

DTXSID90151651 | NCGC00015770-03 | A1-06841 | Q15633911 | FT-0687288 | AC-34383 | Q-100965 | 1,3-dihydroxy-2-methylanthra-9,10-quinone | ANTHRAQUINONE, 1,3-DIHYDROXY-2-METHYL- | HY-N0444 | MFCD02752095 | Rubiadine | 1,3-dihydroxy-2-methylanthraquinone | 1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Application：

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Specifications

同義語

DTXSID90151651 | NCGC00015770-03 | A1-06841 | Q15633911 | FT-0687288 | AC-34383 | Q-100965 | 1,3-dihydroxy-2-methylanthra-9,10-quinone | ANTHRAQUINONE, 1,3-DIHYDROXY-2-METHYL- | HY-N0444 | MFCD02752095 | Rubiadine | 1,3-dihydroxy-2-methylanthraquinone | 1

仕様と純度

≥98%

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504756961

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756961

カノニカル・スマイル

CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O

IUPAC Name

1,3-dihydroxy-2-methylanthracene-9,10-dione

InChIKey

IRZTUXPRIUZXMP-UHFFFAOYSA-N

INCHI

1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3

異性体SMILES

CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O

PubChem CID

124062

分子量

254.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyanthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: 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

関連ターゲット（人間）

DU-145 (51482 Activities)

Explore this target

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

MCF7 (126967 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 254.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 254.058 Da
• Monoisotopic Mass: 254.058 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 405.000
• 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