alpha-Phellandrene (FDB014629)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation date | 2010-04-08 22:11:23 UTC | ||||||||
| Update date | 2019-08-01 18:40:48 UTC | ||||||||
| Primary ID | FDB014629 | ||||||||
| Secondary Accession Numbers | Not Available | ||||||||
| Chemical Information | |||||||||
| FooDB Name | alpha-Phellandrene | ||||||||
| Description | Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. alpha-Phellandrene is found in many foods, some of which are caraway, rosemary, pepper (spice), and pine nut. | ||||||||
| CAS Number | 99-83-2 | ||||||||
| Structure |  | ||||||||
| Synonyms | |||||||||
| Predicted Properties | Not Available | ||||||||
| Chemical Formula | C10H16 | ||||||||
| IUPAC name | |||||||||
| InChI Identifier | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3 | ||||||||
| InChI Key | OGLDWXZKYODSOB-UHFFFAOYSA-N | ||||||||
| Isomeric SMILES | CC(C)C1CC=C(C)C=C1 | ||||||||
| Average Molecular Weight | 136.238 | ||||||||
| Monoisotopic Molecular Weight | 136.125200515 | ||||||||
| Classification | |||||||||
| Description | Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||
| Class | Prenol lipids | ||||||||
| Sub Class | Monoterpenoids | ||||||||
| Direct Parent | Menthane monoterpenoids | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic homomonocyclic compounds | ||||||||
| External Descriptors |
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| Ontology | |||||||||
| Ontology | No ontology term | ||||||||
| Physico-Chemical Properties | |||||||||
| Physico-Chemical Properties - Experimental | |||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| EI-MS/GC-MS | Not Available | ||||||||
| MS/MS | Not Available | ||||||||
| NMR | Not Available | ||||||||
| External Links | |||||||||
| ChemSpider ID | 7180 | ||||||||
| ChEMBL ID | CHEMBL3188459 | ||||||||
| KEGG Compound ID | Not Available | ||||||||
| Pubchem Compound ID | 7460 | ||||||||
| Pubchem Substance ID | Not Available | ||||||||
| ChEBI ID | 50035 | ||||||||
| Phenol-Explorer ID | Not Available | ||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | HMDB35850 | ||||||||
| CRC / DFC (Dictionary of Food Compounds) ID | JTB20-G:JTB20-G | ||||||||
| EAFUS ID | 2955 | ||||||||
| Dr. Duke ID | ALPHA-PHYLLANDRENE|ALPHA-PHELLANDRENE | ||||||||
| BIGG ID | Not Available | ||||||||
| KNApSAcK ID | C00003051 | ||||||||
| HET ID | Not Available | ||||||||
| Food Biomarker Ontology | Not Available | ||||||||
| VMH ID | Not Available | ||||||||
| Flavornet ID | 99-83-2 | ||||||||
| GoodScent ID | rw1009891 | ||||||||
| SuperScent ID | Not Available | ||||||||
| Wikipedia ID | Phellandrene | ||||||||
| Phenol-Explorer Metabolite ID | Not Available | ||||||||
| Duplicate IDS | Not Available | ||||||||
| Old DFC IDS | Not Available | ||||||||
| Associated Foods | |||||||||
Processing... | |||||||||
| Biological Effects and Interactions | |||||||||
| Health Effects / Bioactivities | |||||||||
| Enzymes | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Biosynthesis | Not Available | ||||||||
| Organoleptic Properties | |||||||||
| Flavours | |||||||||
| Files | |||||||||
| MSDS | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| General Reference | Not Available | ||||||||
| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181. | ||||||||