Logo Anses
Logo Interreg

Acremonidin a

  • Formula: C33H26O12

  • Molecular weight: 614.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

Download

Acremonidin a

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

Names

  • Mycotoxin name: Acremonidin a

  • First synonym: Acremonidin a

  • Synonyms: Acremonidin A

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@H]4C=C[C@]3([C@H]2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

  • Inchi: InChI=1S/C33H26O12/c1-12-8-16-22(19(37)9-12)30(42)26-27(39)15-6-7-33(26,31(16)45-13(2)34)11-14-10-20(38)25(28(40)21(14)15)29(41)23-17(35)4-5-18(36)24(23)32(43)44-3/h4-10,15,31,35-38,40,42H,11H2,1-3H3/t15-,31-,33-/m0/s1

  • Inchikey: OFAIMNXQEZOWPU-RXKIPKFJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H26O12

  • Molecular weight: 614.50

  • Monoisotopic mass: 614.14242626

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