Logo Anses
Logo Interreg

Dianhydrorugulosin

  • Formula: C30H18O8

  • Molecular weight: 506.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O

  • Type: Anthraquinoid dimer

Download

Dianhydrorugulosin

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

Names

  • Mycotoxin name: Dianhydrorugulosin

  • First synonym: None

  • Synonyms: Dianhydrorugulosin,(+)-Dianhydrorugulosin,18693-26-0,(1,1'-Bianthracene)-9,9',10,10'-tetrone, 4,4',5,5'-tetrahydroxy-7,7'-dimethyl-, (+)-,(+)-4,4'5,5'-Tetrahydroxy-7,7'-dimethyl-(1,1'-bianthracene)-9,9',10,10'-tetrone,DTXSID20940156,4,4',5,5'-Tetrahydroxy-7,7'-dimethyl[1,1'-bianthracene]-9,9',10,10'-tetrone

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O

  • Inchi: InChI=1S/C30H18O8/c1-11-7-15-21(19(33)9-11)29(37)25-17(31)5-3-13(23(25)27(15)35)14-4-6-18(32)26-24(14)28(36)16-8-12(2)10-20(34)22(16)30(26)38/h3-10,31-34H,1-2H3

  • Inchikey: PTEBGWHDOZFDET-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H18O8

  • Molecular weight: 506.50

  • Monoisotopic mass: 506.10016753

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