Logo Anses
Logo Interreg

Dicatenarin

  • Formula: C30H18O12

  • Molecular weight: 570.50

  • Smiles: CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)O)O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O

  • Type: Anthraquinoid dimer

Download

Dicatenarin

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

Names

  • Mycotoxin name: Dicatenarin

  • First synonym: None

  • Synonyms: Dicatenarin,Catenarin dimer,0ZSD49BY0Q,UNII-0ZSD49BY0Q,1065-08-3,1,1'-Bianthraquinone, 2,2',4,4',5,5',8,8'-octahydroxy-7,7'-dimethyl-,(1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2',4,4',5,5',8,8'-octahydroxy-7,7'-dimethyl-, (+)-,Q27251082

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)O)O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O

  • Isomeric smiles: CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)O)O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O

  • Inchi: InChI=1S/C30H18O12/c1-7-3-9(31)19-23(25(7)37)29(41)21-15(11(33)5-13(35)17(21)27(19)39)16-12(34)6-14(36)18-22(16)30(42)24-20(28(18)40)10(32)4-8(2)26(24)38/h3-6,31-38H,1-2H3

  • Inchikey: UJQQRKKOXCGWSR-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H18O12

  • Molecular weight: 570.50

  • Monoisotopic mass: 570.07982601

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi