Logo Anses
Logo Interreg

Longirostrerone a

  • Formula: C32H40O7

  • Molecular weight: 536.70

  • Smiles: CCC(C)CC(C)C=C(C)C=CC(=O)C1C2C3=COC(=CC3=CC(=O)C2(OC1=O)C)C4C(CC(CC4=O)O)C

Download

Longirostrerone a

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

Names

  • Mycotoxin name: Longirostrerone a

  • First synonym: Longirostrerone a

  • Synonyms: Longirostrerone A,CHEBI:68980,longirostreroneA,CHEMBL1939684,Q27104961,(6aR,9S,9aR)-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-6a-methyl-9-[(2E,4E)-4,6,8-trimethyldeca-2,4-dienoyl]-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione,3-(4-hydroxy-6-methyl-2-oxocyclohexyl)-18-(4,6,8-trimethyldeca-2,4-dienoyl)-(7R)-7-methyl-8,18-dihydro-7H-furo[2,3-h]isochromene-6,17-dione

Identifiers / External links

Structure

  • Smiles: CCC(C)CC(C)C=C(C)C=CC(=O)C1C2C3=COC(=CC3=CC(=O)C2(OC1=O)C)C4C(CC(CC4=O)O)C

  • Isomeric smiles: CCC(C)CC(C)/C=C(\C)/C=C/C(=O)[C@@H]1[C@@H]2C3=COC(=CC3=CC(=O)[C@@]2(OC1=O)C)[C@@H]4[C@H](C[C@H](CC4=O)O)C

  • Inchi: InChI=1S/C32H40O7/c1-7-17(2)10-19(4)11-18(3)8-9-24(34)29-30-23-16-38-26(28-20(5)12-22(33)15-25(28)35)13-21(23)14-27(36)32(30,6)39-31(29)37/h8-9,11,13-14,16-17,19-20,22,28-30,33H,7,10,12,15H2,1-6H3/b9-8+,18-11+/t17?,19?,20-,22+,28+,29+,30-,32-/m0/s1

  • Inchikey: IAPUSMZQQSXGDI-QXHNIIHBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H40O7

  • Molecular weight: 536.70

  • Monoisotopic mass: 536.27740361

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