Dicitrinone a
-
Formula: C28H34O6
-
Molecular weight: 466.60
-
Smiles: CCCC(C1=C(C(=C2C(C(OC=C2C1=O)C)C)C)O)C3=C(C(=C4C(C(OC=C4C3=O)C)C)C)O
Dicitrinone a
Names
-
Mycotoxin name: Dicitrinone a
-
First synonym: Dicitrinone a
-
Synonyms: Dicitrinone A
Identifiers / External links
-
CAS: 1259480-77-7
-
PubChem CID: 50924224
-
ChemSpiderID: 78437631
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:219642
Structure
-
Smiles: CCCC(C1=C(C(=C2C(C(OC=C2C1=O)C)C)C)O)C3=C(C(=C4C(C(OC=C4C3=O)C)C)C)O
-
Isomeric smiles: CCCC(C1=C(C(=C2[C@@H]([C@H](OC=C2C1=O)C)C)C)O)C3=C(C(=C4[C@@H]([C@H](OC=C4C3=O)C)C)C)O
-
Inchi: InChI=1S/C28H34O6/c1-8-9-18(23-25(29)14(4)21-12(2)16(6)33-10-19(21)27(23)31)24-26(30)15(5)22-13(3)17(7)34-11-20(22)28(24)32/h10-13,16-18,29-30H,8-9H2,1-7H3/t12-,13-,16-,17-/m1/s1
-
Inchikey: MHUSJVQTUWEZLL-BQGCOEIASA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C28H34O6
-
Molecular weight: 466.60
-
Monoisotopic mass: 466.2355388
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 770 Penicillium citrinum HGY1-5