| Revision as of 14:23, 30 November 2010 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: StdInChI StdInChIKey.← Previous edit |
Latest revision as of 11:58, 30 August 2022 edit undoJWBE (talk | contribs)Extended confirmed users10,126 edits added Category:Vinylidene compounds using HotCat |
| (26 intermediate revisions by 13 users not shown) |
| Line 1: |
Line 1: |
|
{{chembox |
|
{{chembox |
|
|
| Verifiedfields = changed |
| ⚫ |
| ImageFile = cnicin.png |
|
|
|
| Watchedfields = changed |
|
| ImageSize = |
|
|
|
| verifiedrevid = 399725332 |
|
| IUPACName = trideca-4,8-dien-2-yl] (''3S'')-3,4-dihydroxy-2-methylidene-butanoate |
|
|
⚫ |
| ImageFile = cnicin.svg |
|
|
| PIN = (3a''R'',4''S'',6''E'',10''Z'',11a''R'')-10-(Hydroxymethyl)-6-methyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodecafuran-4-yl (3''R'')-3,4-dihydroxy-2-methylidenebutanoate |
|
| OtherNames = |
|
| OtherNames = |
|
| Section1 = {{Chembox Identifiers |
|
|Section1={{Chembox Identifiers |
|
| Abbreviations = |
|
| Abbreviations = |
|
|
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|
| ChemSpiderID = 4444781 |
|
| ChemSpiderID = 4444781 |
|
|
| ChEMBL_Ref = {{ebicite|changed|EBI}} |
|
|
| ChEMBL = 1257707 |
|
| InChIKey = ZTDFZLVUIVPZDU-QGNHJMHWBP |
|
| InChIKey = ZTDFZLVUIVPZDU-QGNHJMHWBP |
|
|
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChI = 1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1 |
|
| StdInChI = 1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1 |
|
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey = ZTDFZLVUIVPZDU-QGNHJMHWSA-N |
|
| StdInChIKey = ZTDFZLVUIVPZDU-QGNHJMHWSA-N |
|
|
| CASNo_Ref = {{cascite|correct|??}} |
|
| CASNo = 24394-09-0 |
|
| CASNo = 24394-09-0 |
|
|
| UNII_Ref = {{fdacite|correct|FDA}} |
|
|
| UNII = C998MWY30L |
|
| EINECS = |
|
| EINECS = |
|
| PubChem = 5281435 |
|
| PubChem = 5281435 |
| Line 17: |
Line 27: |
|
| RTECS = |
|
| RTECS = |
|
| MeSHName = |
|
| MeSHName = |
|
|
| ChEBI_Ref = {{ebicite|correct|EBI}} |
|
| ChEBI = |
|
| ChEBI = |
|
|
| KEGG_Ref = {{keggcite|correct|kegg}} |
|
| KEGG = |
|
| KEGG = |
|
|
}} |
|
| ATCCode_prefix = |
|
|
⚫ |
|Section2={{Chembox Properties |
|
| ATCCode_suffix = |
|
|
|
| C=20 | H=26 | O=7 |
|
| ATC_Supplemental =}} |
|
| ⚫ |
| Section2 = {{Chembox Properties |
|
|
| Formula = C<sub>20</sub>H<sub>26</sub>O<sub>7</sub> |
|
|
| MolarMass = 378.17 g/mol |
|
|
| Appearance = |
|
| Appearance = |
|
| Density = |
|
| Density = |
|
| MeltingPt = |
|
| MeltingPt = |
|
| Melting_notes = |
|
| MeltingPt_notes = |
|
| BoilingPt = |
|
| BoilingPt = |
|
| Boiling_notes = |
|
| BoilingPt_notes = |
|
| Solubility = |
|
| Solubility = |
|
| SolubleOther = |
|
| SolubleOther = |
| Line 36: |
Line 45: |
|
| pKa = |
|
| pKa = |
|
| pKb = }} |
|
| pKb = }} |
|
| Section7 = {{Chembox Hazards |
|
|Section7={{Chembox Hazards |
|
| EUClass = |
|
|
| EUIndex = |
|
|
| MainHazards = |
|
| MainHazards = |
|
| NFPA-H = |
|
| NFPA-H = |
|
| NFPA-F = |
|
| NFPA-F = |
|
| NFPA-R = |
|
| NFPA-R = |
|
| NFPA-O = |
|
| NFPA-S = |
|
| RPhrases = |
|
|
| SPhrases = |
|
|
| RSPhrases = |
|
|
| FlashPt = |
|
| FlashPt = |
|
| Autoignition = |
|
| AutoignitionPt = |
|
| ExploLimits = |
|
| ExploLimits = |
|
| PEL = }} |
|
| PEL = }} |
|
}} |
|
}} |
|
|
|
|
|
'''Cnicin''' is a ], esterified with a substituted acrylic acid, and belonging to the ] class of natural products. It is mainly found in ] (''Cnicus benedictus'' L. ('']'')), and is present in ] plants, where highest and lowest concentrations are found in the leaves (0.86-3.86% cnicin) and stems respectively.<ref>OLSON, B. E. AND KELSEY, R. G. 1997. Effect of Centaurea maculosa on sheep |
|
'''Cnicin''' is a ], esterified with a substituted ], and belonging to the ] class of natural products. It is mainly found in ] (''Cnicus benedictus'' L. ('']'')), and is present in ] plants, where highest and lowest concentrations are found in the leaves (0.86-3.86% cnicin) and stems respectively.<ref>{{cite journal |author1=Olson, B. E. |author2=Kelsey, R. G. | year = 1997 | title = Effect of Centaurea maculosa on sheep rumen microbial activity and mass in vitro | journal = J. Chem. Ecol. | volume = 23 | pages = 1131–1144 | doi = 10.1023/B:JOEC.0000006391.88098.12 | issue = 4|s2cid=12499959 }}</ref><ref>, Masters Thesis, M Cheeseman, Montana State University</ref> Cnicin is used as a bitter tonic and the bitterness value is approximately 1,500. |
|
rumen microbial activity and mass in vitro. J. Chem. Ecol. 23:1131-1144.</ref><ref>CHEESEMAN, M. 2006. Providing Supplement, with or without PEG,to reduce the effects of cnicin and enhance grazing of spotted knapweed by sheep and cattle.</ref> Cnicin is used as a bitter tonic and the bitterness value is approximately 1,500. |
|
|
|
|
|
|
==References== |
|
==References== |
|
|
{{Reflist}} |
|
<references/> |
|
|
|
|
|
|
==External links== |
|
|
*{{Commons category-inline}} |
|
|
|
|
|
] |
|
] |
|
] |
|
] |
|
|
] |
|
|
] |
|
|
] |
|
|
] |