4-Keto-clonostachydiol
-
Formula: C14H20O6
-
Molecular weight: 284.30
-
Smiles: CC1CCC(C=CC(=O)OC(C(C=CC(=O)O1)O)C)O
-
Type: Macrolactone
4-Keto-clonostachydiol
Names
-
Mycotoxin name: 4-Keto-clonostachydiol
-
First synonym: None
-
Synonyms: Clonostachydiol,4-keto-clonostachydiol,(3E,5S,6R,9E,11R,14R)-5,11-DIHYDROXY-6,14-DIMETHYL-1,7-DIOXACYCLOTETRADECA-3,9-DIENE-2,8-DIONE,2205018-06-8,CHEMBL482037,CHEBI:206648,MFCD08274566,AKOS030213181,864465-64-5
Identifiers / External links
-
CAS: 2205018-06-8,864465-64-5
-
PubChem CID: 10469094
-
ChemSpiderID: 8644505
-
ChEMBL: CHEMBL482037
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:206648
Structure
-
Smiles: CC1CCC(C=CC(=O)OC(C(C=CC(=O)O1)O)C)O
-
Isomeric smiles: C[C@@H]1CC[C@H](/C=C/C(=O)O[C@@H]([C@H](/C=C/C(=O)O1)O)C)O
-
Inchi: InChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11-,12+/m1/s1
-
Inchikey: SSVNIYICRYPPEB-WHZDEVAFSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C14H20O6
-
Molecular weight: 284.30
-
Monoisotopic mass: 284.12598835
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 372 Clonostachys cylindrospora