7-deacetoxyyanuthone a
-
Formula: C22H32O3
-
Molecular weight: 344.50
-
Smiles: CC1=CC(=O)C2(C(C1O)O2)CC=C(C)CCC=C(C)CCC=C(C)C
-
Type: Epoxycyclohexenone/ Farnesylcyclohexenones (terpen
7-deacetoxyyanuthone a
Names
-
Mycotoxin name: 7-deacetoxyyanuthone a
-
First synonym: Chembl461177
-
Synonyms: CHEMBL461177
Identifiers / External links
-
PubChem CID: 44566894
-
ChemSpiderID: 8535604
-
ChEMBL: CHEMBL510701,CHEMBL461177
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:133843
Structure
-
Smiles: CC1=CC(=O)C2(C(C1O)O2)CC=C(C)CCC=C(C)CCC=C(C)C
-
Isomeric smiles: CC1=CC(=O)[C@]2([C@@H]([C@@H]1O)O2)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
-
Inchi: InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22-19(23)14-18(5)20(24)21(22)25-22/h8,10,12,14,20-21,24H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22+/m1/s1
-
Inchikey: DKOXVDVXOYHFHV-ITGDQCKOSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C22H32O3
-
Molecular weight: 344.50
-
Monoisotopic mass: 344.23514488
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 869 Penicillium notatum 929 Penicillium sp.