Diplodiol
-
Formula: C12H16O4
-
Molecular weight: 224.25
-
Smiles: CCC1CCC2=C(C1O)C(=O)C(=CO2)CO
-
Type: Benzopyrone
Diplodiol
Names
-
Mycotoxin name: Diplodiol
-
First synonym: None
-
Synonyms: Diplodiol,Diplosporin,69199-05-9,(5S,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one,trans-6-ethyl-5-hydroxy-3-hydroxymethyl-5,6,7,8-tetrahydrochromone,CHEMBL470884,DTXSID90276313,CHEBI:172462,(E)-6-Ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromone,Chromone, 5,6,7,8-tetrahydro-6-ethyl-5-hydroxy-3-(hydroxymethyl)-, (E)-,6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(hydroxymethyl)-4H-1-benzopyran-4-one,4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydro-6-ethyl-5-hydroxy-3-(hydroxymethyl)-, (5S-trans)-
Identifiers / External links
-
CAS: 69199-05-9
-
PubChem CID: 129639
-
ChemSpiderID: 114781
-
ChEMBL: CHEMBL470884
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:172462
-
CompTox Chemicals Dashboard (DTXSID): DTXSID90276313
Structure
-
Smiles: CCC1CCC2=C(C1O)C(=O)C(=CO2)CO
-
Isomeric smiles: CC[C@@H]1CCC2=C([C@H]1O)C(=O)C(=CO2)CO
-
Inchi: InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11+/m1/s1
-
Inchikey: BFQQKLXDPGTJKC-HQJQHLMTSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C12H16O4
-
Molecular weight: 224.25
-
Monoisotopic mass: 224.10485899
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