Aszonalenin
-
Formula: C23H23N3O2
-
Molecular weight: 373.40
-
Smiles: CC(C)(C=C)C12CC3C(=O)NC4=CC=CC=C4C(=O)N3C1NC5=CC=CC=C25
Aszonalenin
Names
-
Mycotoxin name: Aszonalenin
-
First synonym: Aszonalenin
-
Synonyms: ASZONALENIN,10-(2-Methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione,81797-27-5,NSC-374337,DTXSID50398686,NSC374337
Identifiers / External links
-
CAS: 81797-27-5
-
PubChem CID: 4037170
-
ChemSpiderID: 3253691
-
US FDA (UNII): UNII-0V5DQ674AU
-
Wikidata (wiki): Q674
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:192681
-
CompTox Chemicals Dashboard (DTXSID): DTXSID50398686
Structure
-
Smiles: CC(C)(C=C)C12CC3C(=O)NC4=CC=CC=C4C(=O)N3C1NC5=CC=CC=C25
-
Isomeric smiles: CC(C)(C=C)[C@]12C[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3[C@H]1NC5=CC=CC=C25
-
Inchi: InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21-,23+/m1/s1
-
Inchikey: AVLMMDWEIUEKEK-AAIMPIBUSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C23H23N3O2
-
Molecular weight: 373.40
-
Monoisotopic mass: 373.17902698
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 294 Aspergillus zonatus