Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:06:16 UTC |
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Update date | 2019-11-26 03:00:02 UTC |
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Primary ID | FDB004483 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Euphol |
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Description | Euphol belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, euphol is considered to be an isoprenoid. Based on a literature review a significant number of articles have been published on Euphol. |
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CAS Number | 514-47-6 |
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Structure | |
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Synonyms | Synonym | Source |
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8,24-Euphadien-3 beta-ol | MeSH | (+)-alpha-Euphol | HMDB | (3beta,13alpha,14beta,17alpha)-Lanosta-8,24-dien-3-ol | HMDB | 13alpha,14beta,17BetaH-lanosta-8,24-dien-3beta-ol (8ci) | HMDB | 5alpha-Eupha-8,24-dien-3beta-ol | HMDB | alpha-Euphol | HMDB | Eupha-8,24-dienol | HMDB | Euphadienol | HMDB | Euphol (6ci) | HMDB | Euphol | MeSH | 13alpha,14beta,17betaH-Lanosta-8,24-dien-3beta-ol (8CI) | biospider | Euphol (6CI) | biospider | Lanosta-8,24-dien-3-ol, (3beta,13alpha,14beta,17alpha)- | biospider |
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Predicted Properties | |
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Chemical Formula | C30H50O |
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IUPAC name | (2S,5S,7R,11S,14S,15S)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol |
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InChI Identifier | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1 |
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InChI Key | CAHGCLMLTWQZNJ-WZLOIPHISA-N |
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Isomeric SMILES | [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C |
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Average Molecular Weight | 426.7174 |
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Monoisotopic Molecular Weight | 426.386166222 |
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Classification |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- 3-beta-hydroxysteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Steroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Cryst | CCD |
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Mass Composition | C 84.44%; H 11.81%; O 3.75% | CCD |
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Melting Point | Mp 116° | CCD |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | [a] 19.5D +32 ( CHCl3) | CCD |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Euphol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03dj-1009400000-e2b516142f5128a7b5f6 | Spectrum | Predicted GC-MS | Euphol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-3002900000-35e63c0bf6f033cb847c | Spectrum | Predicted GC-MS | Euphol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a6r-0002900000-2cfcf7ce4b5b21140eae | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0pdi-2139500000-9a25961000db9796d6da | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uxr-4259100000-9f7f26265abec4122e35 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0000900000-77a57cecc2069bee1926 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0000900000-5b0f06bf8120e780e30c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-1009400000-421e305d47b29da427d2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004l-9104200000-8ee941ab6792a5ab3b9a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0aou-9013000000-cb179d67807c5e9add64 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0lfv-9533000000-93d879330971207fa9c9 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0000900000-590c9e4adfdd12b64d93 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0000900000-78dd6104ab40fb436c5e | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00fr-1001900000-493f552ce99405fdada2 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 390292 |
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ChEMBL ID | CHEMBL465181 |
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KEGG Compound ID | C08624 |
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Pubchem Compound ID | 441678 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB31438 |
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CRC / DFC (Dictionary of Food Compounds) ID | KCN47-X:KCN47-X |
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EAFUS ID | Not Available |
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Dr. Duke ID | EUPHOL |
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BIGG ID | Not Available |
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KNApSAcK ID | C00003745 |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
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abortifacient | 50691 | A chemical substance that interrupts pregnancy after implantation. | DUKE |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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