| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:10:36 UTC |
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| Update date | 2019-08-01 18:41:52 UTC |
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| Primary ID | FDB013225 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Cucurbitacin D |
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| Description | Cucurbitacin D, also known as elatericin a, belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Based on a literature review a significant number of articles have been published on Cucurbitacin D. |
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| CAS Number | 3877-86-9 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | Not Available |
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| Chemical Formula | C30H44O7 |
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| IUPAC name | |
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| InChI Identifier | InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+ |
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| InChI Key | SRPHMISUTWFFKJ-VAWYXSNFSA-N |
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| Isomeric SMILES | CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C |
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| Average Molecular Weight | 516.6662 |
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| Monoisotopic Molecular Weight | 516.308703762 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Cucurbitacins |
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| Direct Parent | Cucurbitacins |
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| Alternative Parents | |
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| Substituents | - Cucurbitacin skeleton
- Triterpenoid
- 25-hydroxysteroid
- 22-oxosteroid
- 21-oxosteroid
- 20-hydroxysteroid
- 3-oxo-delta-5-steroid
- 2-hydroxysteroid
- 3-oxosteroid
- Hydroxysteroid
- 11-oxosteroid
- Oxosteroid
- 16-hydroxysteroid
- Delta-5-steroid
- Acyloin
- Acryloyl-group
- Alpha,beta-unsaturated ketone
- Enone
- Alpha-hydroxy ketone
- Tertiary alcohol
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Organic oxide
- Alcohol
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 4510125 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C08796 |
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| Pubchem Compound ID | 5353546 |
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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 | HMDB34695 |
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| CRC / DFC (Dictionary of Food Compounds) ID | JDV65-L:HPS85-M |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | CUCURBITACIN-D |
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| BIGG ID | Not Available |
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| KNApSAcK ID | C00003685 |
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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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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | |
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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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