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Emodin anthrone

  • Formula: C15H12O4

  • Molecular weight: 256.25

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O

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Emodin anthrone

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Emodin anthrone

  • First synonym: Emodin anthrone

  • Synonyms: Emodin anthrone,Emodinanthrone,491-60-1,1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one,emodin-9-anthrone,1,3,8-Trihydroxy-6-methylanthrone,Emodinol,UNII-77C500W1A2,CHEMBL122192,77C500W1A2,1,6,8-trihydroxy-3-methyl-10-hydroanthracen-9-one,9(10H)-Anthracenone, 1,3,8-trihydroxy-6-methyl-,Emodinanthranol,Emodin anthranol,Protophyscihydrone,2,4,5-trihydroxy-7-methylanthracen-10(9H)-one,Frangulaemodinanthrone,Frangulaemodinanthranol,Frangula emodin anthrone,SCHEMBL6046328,DTXSID80197684,CHEBI:150013,BCP29231,ZINC6070245,BDBM50060878,6-Methyl-1,3,8,9-anthracenetetrol,AKOS025401350,AC-1208,1,3,8-Trihydroxy-6-methyl-9(10H)-Anthracenone,1,3,8-trihydroxy-6-methylanthracen-9(10H)-one,491E601,Q27266578,Emodinanthrone pound>>1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one 1,6,8-Trihydroxy-3-methyl-10-hydroanthracen-9-one 9(10H)-Anthracenone

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Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O

  • Inchi: InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3

  • Inchikey: LAJSXCAVRQXZIO-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H12O4

  • Molecular weight: 256.25

  • Monoisotopic mass: 256.07355886

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