Logo Anses
Logo Interreg

Crotocin

  • Formula: C19H24O5

  • Molecular weight: 332.40

  • Smiles: CC=CC(=O)OC1CC2C3(C1(C4(C(O2)C=C(C5C4O5)C)C)C)CO3

  • Type: Trichothecene

Download

Crotocin

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

Names

  • Mycotoxin name: Crotocin

  • First synonym: None

  • Synonyms: Crotocin,21284-11-7,Antibiotic T,[(2R,3R,5S,8R,10R,12R,13S)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-yl] (Z)-but-2-enoate,NSC 145,414,DTXSID101046264,Trichothec-9-en-4-beta-ol, 7-beta,8-beta:12,13-diepoxy-, crotonate, (Z)-,Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-,Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, 2-butenoate, (4-beta(Z),7-beta,8-beta)-

Identifiers / External links

Structure

  • Smiles: CC=CC(=O)OC1CC2C3(C1(C4(C(O2)C=C(C5C4O5)C)C)C)CO3

  • Isomeric smiles: C/C=C\C(=O)O[C@@H]1C[C@@H]2[C@]3(C1([C@@]4([C@H](O2)C=C([C@H]5[C@@H]4O5)C)C)C)CO3

  • Inchi: InChI=1S/C19H24O5/c1-5-6-14(20)23-12-8-13-19(9-21-19)18(12,4)17(3)11(22-13)7-10(2)15-16(17)24-15/h5-7,11-13,15-16H,8-9H2,1-4H3/b6-5-/t11-,12-,13-,15+,16+,17-,18?,19+/m1/s1

  • Inchikey: LAQCZBYXNRANFU-PMKNNYEISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H24O5

  • Molecular weight: 332.40

  • Monoisotopic mass: 332.16237386

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