8-hydroxyhesperetin
-
Formula: C16H14O7
-
Molecular weight: 318.28
-
Smiles: COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O
8-hydroxyhesperetin
Names
-
Mycotoxin name: 8-hydroxyhesperetin
-
First synonym: 8-hydroxyhesperetin
-
Synonyms: 8-Hydroxyhesperetin,5,7,8,3'-Tetrahydroxy-4'-methoxyflavanone,SCHEMBL4175838,CHEBI:186359,LMPK12140675,(2S)-5,7,8-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Identifiers / External links
-
CAS: 460090-60-2
-
PubChem CID: 42608121
-
ChemSpiderID: 24846632
-
ChEMBL: CHEMBL4175838
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:186359
-
SCHEMBL: SCHEMBL4175838
Structure
-
Smiles: COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O
-
Isomeric smiles: COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O
-
Inchi: InChI=1S/C16H14O7/c1-22-12-3-2-7(4-8(12)17)13-6-10(19)14-9(18)5-11(20)15(21)16(14)23-13/h2-5,13,17-18,20-21H,6H2,1H3/t13-/m0/s1
-
Inchikey: IAFSGFVZGVPMIR-ZDUSSCGKSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C16H14O7
-
Molecular weight: 318.28
-
Monoisotopic mass: 318.07395278
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 228 Aspergillus saitoi