Anthraflavic Acid - ≥95% , CAS No.84-60-6

CAS: 84-60-6 Cat. No.: A151573 Molecular Weight: 240.21 Beilstein Registry Number: 8(4)3272 EC Number: 201-544-3

GRADE & PURITY ≥95%

Synonyms

Anthraquinone, 2,6-dihydroxy- | CCRIS 5593 | 2,6-dihydroxy-9,10-anthracenedione | ACon1_000002 | 2,6-dihydroxy-9,10-anthraquinone | Q27115942 | s5169 | BRD-K65281664-001-01-8 | Epitope ID:116189 | SCHEMBL124974 | EU-0066601 | 6,10-dihydroxy-2,9-anthraquin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Anthraquinone, 2, 6-dihydroxy- | CCRIS 5593 | 2, 6-dihydroxy-9, 10-anthracenedione | ACon1_000002 | 2, 6-dihydroxy-9, 10-anthraquinone | Q27115942 | s5169 | BRD-K65281664-001-01-8 | Epitope ID:116189 | SCHEMBL124974 | EU-0066601 | 6, 10-dihydroxy-2, 9-anthraquin

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488180153
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180153
• Canonical Smiles: C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
• IUPAC Name: 2,6-dihydroxyanthracene-9,10-dione
• InChIKey: APAJFZPFBHMFQR-UHFFFAOYSA-N
• INCHI: 1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
• Isomeric SMILES: C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
• RTECS: CB6675000
• Molecular Weight: 240.21
• Beilstein: 8(4)3272
• Reaxy-Rn: 2054127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054127&ln=

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 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Ketone - 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: dihydroxyanthraquinone

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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Raji (5516 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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A-431 (6446 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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Associated Targets(non-human)

Streptococcus mutans (2687 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 330°C(lit.)
• Molecular Weight: 240.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 240.042 Da
• Monoisotopic Mass: 240.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 342.000
• 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

References

1. Yunxiao Wang, Chang Liu, Shanshan Tang, Jing Tian, Yi Wang, Yi Yang.  (2023)  Thermodynamics, kinetics and structure-activity relationship of hydroxyanthraquinones scavenging free radicals.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.102705]

2. Yuanyuan Song, Ziqi Wang, Yijing Long, Yang Mao, Feng Jiang, Yuanyuan Lu.  (2022)  2-Alkyl-anthraquinones inhibit Candida albicans biofilm via inhibiting the formation of matrix and hyphae.  RESEARCH IN MICROBIOLOGY,      [PMID:35550403] [10.1016/j.resmic.2022.103955]

3. Jiaxing Zhang, Wen Wang, Zubiyan Yibula, Xin Peng, Rongxin Su, Wei Qi.  (2026)  Anthraquinones Inhibit Insulin Amyloidosis in Crowded Environments.  MOLECULES,  31  (7): (1092).  [PMID:] [10.3390/molecules31071092]