Epoformin
-
Formula: C7H8O3
-
Molecular weight: 140.14
-
Smiles: CC1=CC(C2C(C1=O)O2)O
-
Type: Epoxyquinone
Epoformin
Names
-
Mycotoxin name: Epoformin
-
First synonym: Epoformin
-
Synonyms: Epoformin,52146-62-0,Desoxyepoxydon,Antibiotic 417-A,BRN 1563789,417-A,5-18-01-00142 (Beilstein Handbook Reference),CHEMBL452149,SCHEMBL4513359,DTXSID70966503,7-Oxabicyclo(4.1.0)hept-3-en-2-one, 5-hydroxy-3-methyl-, (1R-(1-alpha,5-beta,6-alpha))-,5-Hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
Identifiers / External links
-
CAS: 18-01-0,52146-62-0
-
PubChem CID: 171120
-
ChemSpiderID: 149599
-
ChEMBL: CHEMBL4513359,CHEMBL452149
-
CompTox Chemicals Dashboard (DTXSID): DTXSID70966503
-
SCHEMBL: SCHEMBL4513359
Structure
-
Smiles: CC1=CC(C2C(C1=O)O2)O
-
Isomeric smiles: CC1=C[C@H]([C@@H]2[C@H](C1=O)O2)O
-
Inchi: InChI=1S/C7H8O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4,6-8H,1H3/t4-,6-,7+/m1/s1
-
Inchikey: WCZPXJJNPSYRIV-QXRNQMCJSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C7H8O3
-
Molecular weight: 140.14
-
Monoisotopic mass: 140.047344113
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 776 Penicillium claviforme 818 Penicillium griseofulvum