Logo Anses
Logo Interreg

Rugulin

  • Formula: C32H24O10

  • Molecular weight: 568.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C34C(=O)C5C(C6C3(C2=O)C7C(C6C58C4(C7=O)C(=O)C9=C(C8=O)C=C(C=C9O)C)OC)OC

  • Type: Anthraquinoid dimer

Download

Rugulin

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

Names

  • Mycotoxin name: Rugulin

  • First synonym: None

  • Synonyms: Rugulin,67278-88-0,CCRIS 4403,2,2'-dimethoxy-4a,4a'-dehydrorugulosin,8,23-dihydroxy-14,28-dimethoxy-6,21-dimethylnonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone,7,15a,7a,15-(1,2,3,4)Butanetetrayl-7aH,15aH-pentaleno(1,6a-b:3a,4-b')dinaphthalene-5,6,8,13,14,16(7H,15H)-hexone, 4,12-dihydroxy-17,20-dimethoxy-2,10-dimethyl-, stereoisomer,DTXSID501031772,AKOS040753863

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C34C(=O)C5C(C6C3(C2=O)C7C(C6C58C4(C7=O)C(=O)C9=C(C8=O)C=C(C=C9O)C)OC)OC

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C34C(=O)C5C(C6C3(C2=O)C7C(C6C58C4(C7=O)C(=O)C9=C(C8=O)C=C(C=C9O)C)OC)OC

  • Inchi: InChI=1S/C32H24O10/c1-9-5-11-15(13(33)7-9)25(37)31-28(40)20-21(41-3)17-18-22(42-4)19(29(17,31)23(11)35)27(39)32(31)26(38)16-12(24(36)30(18,20)32)6-10(2)8-14(16)34/h5-8,17-22,33-34H,1-4H3

  • Inchikey: ROBRFZABRZCKHN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H24O10

  • Molecular weight: 568.50

  • Monoisotopic mass: 568.13694696

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