Logo Anses
Logo Interreg

tan 1813

  • Formula: C26H35NO6

  • Molecular weight: 457.60

  • Smiles: CCCCCC(C=C)C1=C(C(=O)NC1=O)C(=O)C2C(C=CC3(C2C(CC(C3)C(=O)O)C)O)C

Download

tan 1813

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

Names

  • Mycotoxin name: tan 1813

  • First synonym: None

  • Synonyms: TAN-1813,(2R,4S,6R,8aR)-8a-hydroxy-4,6-dimethyl-5-[4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrole-3-carbonyl]-2,3,4,4a,5,6-hexahydro-1H-naphthalene-2-carboxylic acid,(2R,4S,6R,8aR)-8a-hydroxy-4,6-dimethyl-5-(4-((3S)-oct-1-en-3-yl)-2,5-dioxopyrrole-3-carbonyl)-2,3,4,4a,5,6-hexahydro-1H-naphthalene-2-carboxylic acid,(2R,4S,6R,8AR)-8a-hydroxy-5-(5-hydroxy-4-((3S)-oct-1-en-3-yl)-2-oxo-2H-pyrrole-3-carbonyl)-4,6-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-2-carboxylate,(2R,4S,6R,8AR)-8a-hydroxy-5-{5-hydroxy-4-[(3S)-oct-1-en-3-yl]-2-oxo-2H-pyrrole-3-carbonyl}-4,6-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-2-carboxylate,CHEBI:207679,TAN 1813,172924-31-1

Identifiers / External links

Structure

  • Smiles: CCCCCC(C=C)C1=C(C(=O)NC1=O)C(=O)C2C(C=CC3(C2C(CC(C3)C(=O)O)C)O)C

  • Isomeric smiles: CCCCC[C@@H](C=C)C1=C(C(=O)NC1=O)C(=O)C2[C@@H](C=C[C@]3(C2[C@H](C[C@H](C3)C(=O)O)C)O)C

  • Inchi: InChI=1S/C26H35NO6/c1-5-7-8-9-16(6-2)19-20(24(30)27-23(19)29)22(28)18-14(3)10-11-26(33)13-17(25(31)32)12-15(4)21(18)26/h6,10-11,14-18,21,33H,2,5,7-9,12-13H2,1,3-4H3,(H,31,32)(H,27,29,30)/t14-,15+,16-,17-,18?,21?,26+/m1/s1

  • Inchikey: DLAQLPWTEPAWGC-OZDNBXTOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H35NO6

  • Molecular weight: 457.60

  • Monoisotopic mass: 457.24643784

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