Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2021-09-24 00:11:26 UTC |
---|
Update Date | 2021-09-24 00:11:26 UTC |
---|
HMDB ID | HMDB0303206 |
---|
Secondary Accession Numbers | None |
---|
Metabolite Identification |
---|
Common Name | D-Camphor |
---|
Description | (+)-camphor, also known as formosa camphor or 2-bornanone, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (+)-camphor is considered to be an isoprenoid lipid molecule (+)-camphor is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-camphor is a bitter, camphor, and herbal tasting compound and can be found in a number of food items such as sugar apple, sunflower, fennel, and cardamom, which makes (+)-camphor a potential biomarker for the consumption of these food products. |
---|
Structure | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
---|
Synonyms | Value | Source |
---|
2-Bornanone | ChEBI | 2-Camphanone | ChEBI | 2-Keto-1,7,7-trimethylnorcamphane | ChEBI | Formosa camphor | ChEBI | Gum camphor | ChEBI | Japan camphor | ChEBI | Kampfer | ChEBI | Laurel camphor | ChEBI | Root bark oil | ChEBI | Spirit OF camphor | ChEBI | DL-Camphor | Kegg | Camphor, (1R)-isomer | MeSH | Camphor, (+-)-isomer | MeSH | Camphor, (1S)-isomer | MeSH | Camphor | KEGG |
|
---|
Chemical Formula | C10H16O |
---|
Average Molecular Weight | 152.2334 |
---|
Monoisotopic Molecular Weight | 152.120115134 |
---|
IUPAC Name | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
---|
Traditional Name | camphor |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC1(C)C2CCC1(C)C(=O)C2 |
---|
InChI Identifier | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
---|
InChI Key | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
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
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
D-Camphor,1TMS,isomer #1 | CC12CCC(C=C1O[Si](C)(C)C)C2(C)C | 1266.3 | Semi standard non polar | 33892256 | D-Camphor,1TMS,isomer #1 | CC12CCC(C=C1O[Si](C)(C)C)C2(C)C | 1242.6 | Standard non polar | 33892256 | D-Camphor,1TMS,isomer #1 | CC12CCC(C=C1O[Si](C)(C)C)C2(C)C | 1349.8 | Standard polar | 33892256 | D-Camphor,1TBDMS,isomer #1 | CC12CCC(C=C1O[Si](C)(C)C(C)(C)C)C2(C)C | 1510.5 | Semi standard non polar | 33892256 | D-Camphor,1TBDMS,isomer #1 | CC12CCC(C=C1O[Si](C)(C)C(C)(C)C)C2(C)C | 1377.7 | Standard non polar | 33892256 | D-Camphor,1TBDMS,isomer #1 | CC12CCC(C=C1O[Si](C)(C)C(C)(C)C)C2(C)C | 1504.9 | Standard polar | 33892256 |
|
---|
| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 10V, Positive-QTOF | splash10-0udi-0900000000-4cafcac5e85025eeaec8 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 20V, Positive-QTOF | splash10-0udi-0900000000-17669f71449bccac9c8d | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 40V, Positive-QTOF | splash10-014r-6900000000-c20f4b32cffb282dfffc | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 10V, Negative-QTOF | splash10-0udi-0900000000-870908e69f6481ec31c4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 20V, Negative-QTOF | splash10-0udi-0900000000-1949b2aa08f3b1e304ac | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 40V, Negative-QTOF | splash10-059f-4900000000-44e9c7b01eae3def86c4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 10V, Positive-QTOF | splash10-0a4i-2900000000-2cd9a6a2424beb982a18 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 20V, Positive-QTOF | splash10-0006-9400000000-4ee1adf4cbd54fc7cd69 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 40V, Positive-QTOF | splash10-0006-9000000000-384dbbf2dde45bc0a2a4 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 10V, Negative-QTOF | splash10-0udi-0900000000-c373c9eea3cebf186f53 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 20V, Negative-QTOF | splash10-0udi-0900000000-c373c9eea3cebf186f53 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Camphor 40V, Negative-QTOF | splash10-0uea-0900000000-b2916f33f5615842d1b4 | 2021-10-21 | Wishart Lab | View Spectrum |
|
---|