Logo Anses
Logo Interreg

Engleromycin

  • Formula: C28H35NO6

  • Molecular weight: 481.60

  • Smiles: CC1CC=CC2C(C(=C)C(C3C2(CC4(C(O4)C(C1=O)(C)O)O)C(=O)NC3CC5=CC=CC=C5)C)O

  • Type: Cytochalasan

Download

Engleromycin

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

Names

  • Mycotoxin name: Engleromycin

  • First synonym: None

  • Synonyms: Engleromycin,77784-06-6,(11)Cytochalasa-6(12),13-diene-1,17-dione, 19,20-epoxy-7,18,21-trihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,21S)-,2H-Oxireno(9,10)cycloundec(1,2-d)isoindole-3,13(4H,14H)-dione,1a,5,5a,6,7,8,8a,11,12,14a-decahydro-2,8,14-trihydroxy-6,12,14-trimethyl-7-methylene-5-(phenylmethyl)-, (2S,2aR,5S,5aR,6S,8S,8aR,9E,12S,14R)-

Identifiers / External links

  • CAS: 77784-06-6

  • PubChem CID: 6440595

Structure

  • Smiles: CC1CC=CC2C(C(=C)C(C3C2(CC4(C(O4)C(C1=O)(C)O)O)C(=O)NC3CC5=CC=CC=C5)C)O

  • Isomeric smiles: CC1C/C=C/C2C(C(=C)C(C3C2(CC4(C(O4)C(C1=O)(C)O)O)C(=O)NC3CC5=CC=CC=C5)C)O

  • Inchi: InChI=1S/C28H35NO6/c1-15-9-8-12-19-22(30)17(3)16(2)21-20(13-18-10-6-5-7-11-18)29-25(32)27(19,21)14-28(34)24(35-28)26(4,33)23(15)31/h5-8,10-12,15-16,19-22,24,30,33-34H,3,9,13-14H2,1-2,4H3,(H,29,32)/b12-8+

  • Inchikey: KHXIYTOCQZQSDM-XYOKQWHBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H35NO6

  • Molecular weight: 481.60

  • Monoisotopic mass: 481.24643784

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

  • Fungi id Species