Logo Anses
Logo Interreg

Thielavin i

  • Formula: C28H30O8

  • Molecular weight: 494.50

  • Smiles: CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C=C3C)O)C)O)C)O)C)O

Download

Thielavin i

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

Names

  • Mycotoxin name: Thielavin i

  • First synonym: Thielavin i

  • Synonyms: Thielavin I

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C=C3C)O)C)O)C)O)C)O

  • Isomeric smiles: CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C=C3C)O)C)O)C)O)C)O

  • Inchi: InChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3

  • Inchikey: UPKGXNUGBGHQFZ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H30O8

  • Molecular weight: 494.50

  • Monoisotopic mass: 494.19406791

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