Lucidin - ≥98% , CAS No.478-08-0

CAS: 478-08-0 Cat. No.: L126020 분자식: C₁₅H₁₀O₅ 분자량: 270.24 EC 번호: 683-115-4

GRADE & PURITY ≥98%

Synonyms

1,3-Dihydroxy-2-hydroxymethylanthraquinoline | WLN: L C666 BV IVJ DQ E1Q FQ | NSC 30546;Henine;1,3-Dihydroxy-2-(hydroxymethyl)anthraquinone | CHEBI:6554 | 9,10-Anthracenedione, 1,3-dihydroxy-2-(hydroxymethyl)- | AKOS027328039 | Henine | Lucidin (quinone)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Lucidin (NSC 30546) is a natural component of Rubia tinctorum L. lucidin is mutagenic in bacteria and mammalian cells.

Specifications

동의어

1,3-Dihydroxy-2-hydroxymethylanthraquinoline | WLN: L C666 BV IVJ DQ E1Q FQ | NSC 30546;Henine;1,3-Dihydroxy-2-(hydroxymethyl)anthraquinone | CHEBI:6554 | 9,10-Anthracenedione, 1,3-dihydroxy-2-(hydroxymethyl)- | AKOS027328039 | Henine | Lucidin (quinone)

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528775121

정식 스마일

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O

IUPAC Name

1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione

InChIKey

AMIDUPFSOUCLQB-UHFFFAOYSA-N

INCHI

1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2

이성체 SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O

분자량

270.24

Reaxy-Rn

1888954

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1888954&ln=

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 Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• 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 - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - 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

화학 및 물리적 특성

• 용해성: 25°C: DMSO
• 분자량: 270.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 270.053 Da
• Monoisotopic Mass: 270.053 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 420.000
• 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