5-Hydroxy-2,4-decadienoic acid delta-lactone
PubChem CID: 33960
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| Compound Synonyms | 6-Pentyl-2H-pyran-2-one, 27593-23-3, 6-Amyl-alpha-pyrone, 6-Pentyl-2-pyrone, 2H-Pyran-2-one, 6-pentyl-, 6-pentylpyran-2-one, 6-Amyl-2-pyrone, 6-PENTYL-ALPHA-PYRONE, 6-Amyl-.alpha.-pyrone, 6-Amyl-A-pyrone, FEMA No. 3696, 8JTW8HL4PJ, 5-Hydroxy-2,4-decadienoic acid delta-lactone, DTXSID0047589, 2-Pyrone, 6-pentyl, 6-pentyl-pyran-2-one, 6-n-pentyl-alpha-pyrone, EINECS 248-552-3, NSC-721361, DTXCID8027589, CHEBI:66729, NSC 721361, 5-hydroxy-2,4-decadienoic acid gamma-lactone, 5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE, 5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE [FHFI], 2,4-DECADIENOIC ACID, 5-HYDROXY-3-METHYL-, .DELTA.-LACTONE, UNII-8JTW8HL4PJ, 6-amyl-?-pyrone, 6-pentyl-a-pyrone, MFCD00047551, NSC721361, 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, 6-N-Amyl .alpha.-pyrone, Pyran-2-one, 6-pentyl-, .alpha.-Pyrone, 6-pentyl, 6-n-pentyl-2h-pyran-2-one, SCHEMBL968257, CHEMBL503899, FEMA 3696, Tox21_302570, 6-Amyl-alpha-pyrone, >=96%, FG, AKOS015839660, NCGC00256764-01, AS-58448, NCI60_041518, 5-Hydroxy-2,4-decadienoic acid D-lactone, CAS-27593-23-3, DB-047250, A2147, NS00021098, T70705, Q27135350, 2,4-DECADIENOIC ACID, 5-HYDROXY-3-METHYL-, DELTA-LACTONE, 248-552-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | 2-pyrone derivatives, Furans |
| Deep Smiles | CCCCCccccc=O)o6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Pyrans |
| Description | Present in peach (Prunus persica) and heated beef. Comly. available flavour/aroma modifier, FDA approved flavouring. Shows antibacterial and antifugal props. 6-Pentyl-2H-pyran-2-one is found in animal foods and fruits. |
| Scaffold Graph Node Level | OC1CCCCO1 |
| Classyfire Subclass | Pyranones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275, Q16236 |
| Iupac Name | 6-pentylpyran-2-one |
| Class | Pyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyranones and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | O=c1cccco1 |
| Inchi Key | MAUFTTLGOUBZNA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| State | Liquid |
| Synonyms | &alpha, -Pyrone, 6-pentyl, 2-Pyrone, 6-pentyl, 2,4-Decadien-5-olide, 2H-Pyran-2-one, 6-pentyl-, 5-Hydroxy-2,4-decadienoic acid d-lactone, 5-Hydroxy-2,4-decadienoic acid delta-lactone, 5-hydroxy-2,4-decadienoic acid gamma-lactone, 6-Amyl-&alpha, -pyrone, 6-Amyl-alpha -pyrone, 6-Amyl-alpha-pyrone, 6-N-Amyl &alpha, -pyrone, 6-N-Amyl alpha -pyrone, 6-n-Pentyl-2H-pyran-2-one, 6-n-Pentyl-alpha-pyrone, 6-pentyl-&alpha, -pyrone, 6-Pentyl-2-pyrone, 6-Pentyl-a-pyrone, 6-Pentyl-alpha -pyrone, 6-Pentyl-alpha-pyrone, 6-Pentyl-pyran-2-one, alpha -Pyrone, 6-pentyl, FEMA 3696, Pyran-2-one, 6-pentyl-, 6-Pentylpyrone, 5-Hydroxy-2,4-decadienoic acid D-lactone, 5-Hydroxy-2,4-decadienoic acid gamma-lactone, 6-N-Pentyl-2H-pyran-2-one, 6-N-Pentyl-alpha-pyrone, 2h-pyran-2-one,6-pentyl-, 6-pentyl-α-pyrone |
| Substituent Name | Pyranone, Heteroaromatic compound, Lactone, Oxacycle, Monocarboxylic acid or derivatives, Hydrocarbon derivative, Organooxygen compound, Aromatic heteromonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | c=O, coc |
| Compound Name | 5-Hydroxy-2,4-decadienoic acid delta-lactone |
| Kingdom | Organic compounds |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3 |
| Smiles | CCCCCC1=CC=CC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyranones and derivatives |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9699345 - 2. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644128