6-n-pentyl-alpha-pyrone
-
Formula: C10H14O2
-
Molecular weight: 166.22
-
Smiles: CCCCCC1=CC=CC(=O)O1
6-n-pentyl-alpha-pyrone
Names
-
Mycotoxin name: 6-n-pentyl-alpha-pyrone
-
First synonym: 6-pentyl-2h-pyran-2-one
-
Synonyms: 6-Pentyl-2H-pyran-2-one,27593-23-3,6-Amyl-alpha-pyrone,6-pentylpyran-2-one,6-Amyl-2-pyrone,6-Pentyl-2-pyrone,2H-Pyran-2-one, 6-pentyl-,6-PENTYL-ALPHA-PYRONE,6-Amyl-A-pyrone,UNII-8JTW8HL4PJ,5-Hydroxy-2,4-decadienoic acid delta-lactone,2-Pyrone, 6-pentyl,6-pentyl-pyran-2-one,6-Amyl-.alpha.-pyrone,6-n-pentyl-alpha-pyrone,8JTW8HL4PJ,CHEBI:66729,5-hydroxy-2,4-decadienoic acid gamma-lactone,FEMA No. 3696,6-pentyl-a-pyrone,EINECS 248-552-3,NSC721361,6 Amyl Alpha Pyrone,6-Amyl-alpha -pyrone,6-Pentyl-alpha -pyrone,2,4-Decadien-5-olide,6-N-Amyl alpha -pyrone,6-Pentyl-.alpha.-pyrone,alpha -Pyrone, 6-pentyl,ACMC-209gy8,6-N-Amyl .alpha.-pyrone,Pyran-2-one, 6-pentyl-,.alpha.-Pyrone, 6-pentyl,DSSTox_CID_27589,DSSTox_RID_82436,DSSTox_GSID_47589,6-n-pentyl-2h-pyran-2-one,SCHEMBL968257,CHEMBL503899,DTXSID0047589,FEMA 3696,ZINC1663619,Tox21_302570,MFCD00047551,SBB008445,6-Amyl-alpha-pyrone, >=96%, FG,AKOS015839660,MCULE-5618749422,NSC 721361,NSC-721361,NCGC00256764-01,AS-58448,NCI60_041518,5-Hydroxy-2,4-decadienoic acid D-lactone,CAS-27593-23-3,DB-047250,FT-0620947,ST50828007,T70705,593A233,Q27135350
Identifiers / External links
-
CAS: 27593-23-3
-
PubChem CID: 33960
-
DSS TOX CID: DTXCID8027589
-
ChemSpiderID: 31302
-
ChEMBL: CHEMBL503899,CHEMBL968257
-
US FDA (UNII): UNII-8JTW8HL4PJ
-
Wikidata (wiki): Q27135350
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:66729
-
CompTox Chemicals Dashboard (DTXSID): DTXSID0047589
-
SCHEMBL: SCHEMBL968257
-
TOX21 samples 2:Tox21_302570
Structure
-
Smiles: CCCCCC1=CC=CC(=O)O1
-
Isomeric smiles: CCCCCC1=CC=CC(=O)O1
-
Inchi: InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
-
Inchikey: MAUFTTLGOUBZNA-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C10H14O2
-
Molecular weight: 166.22
-
Monoisotopic mass: 166.099379685
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 656 Myrothecium sp.