Emodin - analytical standard, ≥96%(HPLC) , CAS No.518-82-1

CAS: 518-82-1 Cat. No.: E106693 Summenformel: C₁₅H₁₀O₅ Molekulargewicht: 270.24 EG-Nummer: 208-258-8

GRADE & PURITY Analytical standard, ≥96%(HPLC)

Synonyms

EMO | Frangula emodin | MEGxp0_000460 | 1,3,8-Trihydroxy-6-methylanthraquinone | C.I. Natural Yellow 14 | Lopac-E-7881 | Anthraquinone,3,8-trihydroxy-6-methyl- | BDBM11318 | KBio2_005068 | SR-01000075615 | EMODIN [USP-RS] | rheum emodium | 1f0q | 3bqc | 3

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

EMO | Frangula emodin | MEGxp0_000460 | 1,3,8-Trihydroxy-6-methylanthraquinone | C.I. Natural Yellow 14 | Lopac-E-7881 | Anthraquinone,3,8-trihydroxy-6-methyl- | BDBM11318 | KBio2_005068 | SR-01000075615 | EMODIN [USP-RS] | rheum emodium | 1f0q | 3bqc | 3

Spezifikationen & Reinheit

analytical standard, ≥96%(HPLC)

Biochemische und physiologische Mechanismen

Description:
IC50 Value: observed at 72 hr were as follows: 66.9 uM, Hep3B cells; 74.36 uM, HepG2 cells; and 101.5 uM, Huh7 cells [1].
Emodin (1,3,8-trihydroxy-6-methylanthraquinone) is a naturally occurring anthraquinone presen

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Aktionsart

INHIBITOR

Reinheit

≥96%(HPLC)

Namen und Kennungen

Pubchem Sid

528771249

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771249

Kanonisches Lächeln

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O

IUPAC Name

1,3,8-trihydroxy-6-methylanthracene-9,10-dione

InChIKey

RHMXXJGYXNZAPX-UHFFFAOYSA-N

INCHI

1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

Isomere SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O

Molekulargewicht

270.24

Reaxy-Rn

1888141

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1888141&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Polyols 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 - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: 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: Anthracenes and phenanthrenes

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

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PSMB1 Tclin Proteasome subunit beta type-1 (1 Activities)

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MGAM Tclin Maltase-glucoamylase (654 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

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ELANE Tclin Leukocyte elastase (8173 Activities)

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AKR1B1 Tclin Aldose reductase (1404 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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NPC1L1 Tclin Niemann-Pick C1-like protein 1 (346 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

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MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

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LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

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CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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CTSG Tchem Cathepsin G (2304 Activities)

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PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

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PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)

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NEU2 Tbio Sialidase 2 (382 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

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RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

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SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

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MAPK13 Tchem MAP kinase p38 delta (2605 Activities)

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MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

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MAPKAPK5 Tchem MAP kinase-activated protein kinase 5 (2831 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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AKR1A1 Tchem Aldehyde reductase (91 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

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Alpha-chymotrypsin (819 Activities)

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Ttr Transthyretin (14 Activities)

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Papain (844 Activities)

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Cruzipain (33337 Activities)

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PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

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polC DNA polymerase III (243 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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CELA2A Elastase 2A (403 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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protease Human rhinovirus A protease (1343 Activities)

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Streptococcus pneumoniae (31063 Activities)

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Echinochloa crus-galli (3685 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Agrobacterium tumefaciens (620 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Pasteurella multocida (1166 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Streptococcus agalactiae (1777 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Phytophthora infestans (820 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Enterococcus faecalis (29875 Activities)

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Bacillus cereus (7522 Activities)

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Erysipelothrix rhusiopathiae (118 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Fusarium oxysporum (3998 Activities)

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Artemia (698 Activities)

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Trichoplusia ni (986 Activities)

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Mus musculus (284745 Activities)

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Botrytis cinerea (4183 Activities)

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B16 (5829 Activities)

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L1210 (27553 Activities)

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L5178Y (1809 Activities)

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P388 (20296 Activities)

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Vero (26788 Activities)

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INS1 (2867 Activities)

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Man1 Alpha-mannosidase (188 Activities)

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Calf thymus DNA (4845 Activities)

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FUCA1 Alpha-L-fucosidase 1 (358 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 256-257°C
• Molekulargewicht: 270.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• 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: 434.000
• 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