Oudenone
-
Formula: C12H16O3
-
Molecular weight: 208.25
-
Smiles: CCCC1CCC(=C2C(=O)CCC2=O)O1
Oudenone
Names
-
Mycotoxin name: Oudenone
-
First synonym: Oudenone
-
Synonyms: Oudenone,31323-50-9,SCHEMBL8515013,DTXSID70185252,ZINC1556992,1,3-Cyclopentanedione, 2-(dihydro-5-propyl-2(3H)-furylidene)-, (S)-,Q7110267
Identifiers / External links
-
CAS: 31323-50-9
-
PubChem CID: 160199
-
ChemSpiderID: 140806
-
ChEMBL: CHEMBL8515013
-
US FDA (UNII): UNII-2X2W3L9A37
-
Wikidata (wiki): Q7110267
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:224186
-
CompTox Chemicals Dashboard (DTXSID): DTXSID70185252
-
SCHEMBL: SCHEMBL8515013
Structure
-
Smiles: CCCC1CCC(=C2C(=O)CCC2=O)O1
-
Isomeric smiles: CCC[C@H]1CCC(=C2C(=O)CCC2=O)O1
-
Inchi: InChI=1S/C12H16O3/c1-2-3-8-4-7-11(15-8)12-9(13)5-6-10(12)14/h8H,2-7H2,1H3/t8-/m0/s1
-
Inchikey: AFHDYMGMZUYZQT-QMMMGPOBSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C12H16O3
-
Molecular weight: 208.25
-
Monoisotopic mass: 208.109944368
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 703 Oudemansiella sp.