Logo Anses
Logo Interreg

RES-1149-1

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Smiles: CC=CC=CC=CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C=O)O)C=O

Download

RES-1149-1

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

Names

  • Mycotoxin name: RES-1149-1

  • First synonym: None

  • Synonyms: RES-1149-1,CHEBI:199840,[(1R,4S,4As,8aS)-3,4-diformyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate,[(1R,4S,4aS,8aS)-3,4-diormyl-4-hydroxy-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate

Identifiers / External links

Structure

  • Smiles: CC=CC=CC=CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C=O)O)C=O

  • Isomeric smiles: C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C([C@@]([C@@]2([C@@H]1C(CCC2)(C)C)C)(C=O)O)C=O

  • Inchi: InChI=1S/C23H30O5/c1-5-6-7-8-9-11-19(26)28-18-14-17(15-24)23(27,16-25)22(4)13-10-12-21(2,3)20(18)22/h5-9,11,14-16,18,20,27H,10,12-13H2,1-4H3/b6-5+,8-7+,11-9+/t18-,20+,22+,23-/m1/s1

  • Inchikey: ZWNZDIPJNHSCRQ-MOHQOPMHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Monoisotopic mass: 386.20932405

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

  • Fungi id Species