Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:10:47 UTC |
---|
Update date | 2019-11-26 03:08:38 UTC |
---|
Primary ID | FDB013574 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | (±)-Borneol |
---|
Description | (-)-Borneol, also known as L-borneol or linderol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review a small amount of articles have been published on (-)-Borneol. |
---|
CAS Number | 507-70-0 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
(1S,2R,4S)-(-)-Borneol | ChEBI | (1S,2R,4S)-Borneol | ChEBI | (1S-endo)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | ChEBI | L-Borneol | ChEBI | Linderol | ChEBI | Isoborneol | MeSH | Isoborneol, (1R-endo)-isomer | MeSH | Isoborneol, (1S-endo)-isomer | MeSH | Isoborneol, (1S-exo)-isomer | MeSH | Borneol | MeSH | Isoborneol, (1R-exo)-isomer | MeSH | Isoborneol, (exo)-isomer | MeSH | Isoborneol, (endo)-isomer | MeSH | Isoborneol, (endo-(+-))-isomer | MeSH | 1,7,7-Trimethyl-(1R,2S,4R)-rel-bicyclo[2.2.1]heptan-2-ol | HMDB | 1,7,7-Trimethyl-endo-bicyclo[2.2.1]heptan-2-ol | HMDB | borneo Camphor | HMDB | Borneol (8ci) | HMDB | Bornyl alcohol | HMDB | DL-Borneol | HMDB | endo-(-)-Bornan-2-ol | HMDB | endo-2-Bornanol | HMDB | endo-2-Camphanol | HMDB | endo-2-Hydroxy-1,7,7-trimethylnorbornane | HMDB | endo-2-Hydroxycamphane | HMDB | endo-Borneol | HMDB | Rel-(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol | HMDB | Sumatra camphor | HMDB | (±)-Borneol | db_source | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-rel- | manual | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, endo- | manual | Borneo camphor | manual | Borneol (8CI) | manual | bornyl alcohol | manual | dl-Borneol | manual | endo-(±)-Bornan-2-ol | manual | endo-2-bornanol | manual | endo-2-camphanol | manual | endo-2-hydroxycamphane | manual | FEMA 2157?? | db_source | rel-(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol | manual |
|
---|
Predicted Properties | |
---|
Chemical Formula | C10H18O |
---|
IUPAC name | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol |
---|
InChI Identifier | InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1 |
---|
InChI Key | DTGKSKDOIYIVQL-QXFUBDJGSA-N |
---|
Isomeric SMILES | CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2 |
---|
Average Molecular Weight | 154.2493 |
---|
Monoisotopic Molecular Weight | 154.135765198 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Monoterpenoids |
---|
Direct Parent | Bicyclic monoterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Bicyclic monoterpenoid
- Bornane monoterpenoid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Process | Naturally occurring process: |
---|
Role | Industrial application: Biological role: |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Not Available | |
---|
Physical Description | Not Available | |
---|
Mass Composition | C 77.87%; H 11.76%; O 10.37% | DFC |
---|
Melting Point | Mp 210-215 subl.° | DFC |
---|
Boiling Point | Not Available | |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9500000000-d56079f73c4487b5c71c | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-17ec59e424e6bec05bff | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-1bb77820d7f610ff89a7 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-01ot-9700000000-30278d35f81e3cec5d61 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-0900000000-65191fef89b7904d2002 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9500000000-d56079f73c4487b5c71c | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-17ec59e424e6bec05bff | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-1bb77820d7f610ff89a7 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-01ot-9700000000-30278d35f81e3cec5d61 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-0900000000-65191fef89b7904d2002 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9500000000-d56079f73c4487b5c71c | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-17ec59e424e6bec05bff | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-1bb77820d7f610ff89a7 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-01ot-9700000000-30278d35f81e3cec5d61 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-0900000000-65191fef89b7904d2002 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9500000000-d56079f73c4487b5c71c | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-17ec59e424e6bec05bff | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-9100000000-1bb77820d7f610ff89a7 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-01ot-9700000000-30278d35f81e3cec5d61 | Spectrum | GC-MS | (±)-Borneol, non-derivatized, GC-MS Spectrum | splash10-0002-0900000000-65191fef89b7904d2002 | Spectrum | Predicted GC-MS | (±)-Borneol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0bt9-1900000000-561b837a8b44dbfaea56 | Spectrum | Predicted GC-MS | (±)-Borneol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03k9-6930000000-42c843fe7b6dc6e988d9 | Spectrum | Predicted GC-MS | (±)-Borneol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (±)-Borneol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (±)-Borneol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052r-0900000000-7eaa92cdc2cb1dd17c33 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052r-0900000000-fb1222abb6cef74eb083 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dr-2900000000-622438b8bd224a755c47 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-b64fc5b28acf2b8ce6ee | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-404830ee9ef93bfec2b8 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fki-2900000000-5d8542e9c4643c74fa54 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-08fr-4900000000-c5fb0f5b567a4f9fada9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-090r-9400000000-3329d0b3e6f71527a4bc | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-1ab95ec8cd37ae806b10 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-d2363ae8d4dbdcccda80 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-d2363ae8d4dbdcccda80 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0900000000-4f86d6496a0b85050d5c | 2021-09-22 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | Not Available |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | C01411 |
---|
Pubchem Compound ID | Not Available |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | Not Available |
---|
CRC / DFC (Dictionary of Food Compounds) ID | JPN73-E:JFJ62-O |
---|
EAFUS ID | 355 |
---|
Dr. Duke ID | BORNEOL |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | C00003028 |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | 507-70-0 |
---|
GoodScent ID | rw1039711 |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Borneol |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
---|
(-)-chronotropic | | | DUKE | (-)-inotropic | | | DUKE | allelochemic | | | DUKE | analgesic | 35480 | An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. | DUKE | anti acetylcholine | 38323 | Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. | DUKE | anti bacterial | 33282 | A substance that kills or slows the growth of bacteria. | DUKE | anti bronchitic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti escherichic | | | DUKE | anti feedant | | | DUKE | anti inflammatory | 35472 | A substance that reduces or suppresses inflammation. | DUKE | anti otitic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti pyretic | 35493 | A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. | DUKE | anti salmonella | 33282 | A substance that kills or slows the growth of bacteria. | DUKE | anti spasmodic | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | anti staphylococcic | 33282 | A substance that kills or slows the growth of bacteria. | DUKE | anti yeast | 33281 | A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. | DUKE | candidicide | | | DUKE | choleretic | | | DUKE | central nervous system stimulant | 35470 | A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. | DUKE | central nervous system toxic | 50910 | A poison that interferes with the functions of the nervous system. | DUKE | flavor | 48318 | A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. | DUKE | fungicide | 24127 | A substance used to destroy fungal pests. | DUKE | hepatoprotective | 62868 | Any compound that is able to prevent damage to the liver. | DUKE | herbicide | 24527 | A substance used to destroy plant pests. | DUKE | inhalant | | | DUKE | insect repellent | 24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | DUKE | insectifuge | 24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | DUKE | irritant | | | DUKE | myorelaxant | | | DUKE | nematicide | 25491 | A substance used to destroy pests of the phylum Nematoda (roundworms). | DUKE | perfumery | 48318 | A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. | DUKE | pesticide | 25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | DUKE | sedative | 35717 | A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. | DUKE | tranquilizer | | | DUKE |
|
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
camphor |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| pine |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| woody |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
|
|
---|
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.
|
---|