Citreovirenone
-
Formula: C14H16O4
-
Molecular weight: 248.27
-
Smiles: CC1CC(=O)C=C(O1)CC2=CC(=CC(=C2)OC)O
Citreovirenone
Names
-
Mycotoxin name: Citreovirenone
-
First synonym: Citreovirenone
-
Synonyms: Citreovirenone,103955-68-6,Citreovirenone-,UNII-2HBN9Z7UJ9,2HBN9Z7UJ9,CHEBI:168284,(2S)-6-((3-Hydroxy-5-methoxy-phenyl)methyl)-2-methyl-2,3-dihydropyran-4-one,(2S)-6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydropyran-4-one,(S)-2,3-Dihydro-6-((3-hydroxy-5-methoxyphenyl)methyl)-2-methyl-4H-pyran-4-one,4H-Pyran-4-one, 2,3-dihydro-6-((3-hydroxy-5-methoxyphenyl)methyl)-2-methyl-, (2S)-
Identifiers / External links
-
CAS: 103955-68-6
-
PubChem CID: 15071547
-
ChemSpiderID: 35013619
-
US FDA (UNII): UNII-2HBN9Z7UJ9
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:168284
-
CompTox Chemicals Dashboard (DTXSID): DTXSID001138058
Structure
-
Smiles: CC1CC(=O)C=C(O1)CC2=CC(=CC(=C2)OC)O
-
Isomeric smiles: C[C@H]1CC(=O)C=C(O1)CC2=CC(=CC(=C2)OC)O
-
Inchi: InChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3/t9-/m0/s1
-
Inchikey: WMCPLZDBHVOXCJ-VIFPVBQESA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C14H16O4
-
Molecular weight: 248.27
-
Monoisotopic mass: 248.10485899
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