Rubiadin - ≥98% , CAS No.117-02-2

CAS: 117-02-2 Cat. No.: R334597 분자식: C₁₅H₁₀O₄ 분자량: 254.24 EC 번호: 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

개요

Application：

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

Specifications

동의어

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

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504756961
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756961
• 정식 스마일: 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
• 이성체 SMILES: CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
• PubChem CID: 124062
• 분자량: 254.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 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