| Revision as of 11:57, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 463831245 of page Pterostilbene for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 11:57, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444072573 of page Pterulone for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').Next edit → |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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{{Chembox |
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| ImageFile = Pterulone.png |
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| Verifiedfields = changed |
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| ImageSize = |
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| verifiedrevid = 455522964 |
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| IUPACName = 1-ethanone |
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| ImageFile = Pterostilbene.png |
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| ImageSize = |
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| OtherNames = |
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| IUPACName = 4-phenol |
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| OtherNames = 3',5'-Dimethoxy-4-stilbenol<br>3,5-Dimethoxy-4'-hydroxy-''E''-stilbene |
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| Section1 = {{Chembox Identifiers |
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| Section1 = {{Chembox Identifiers |
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| InChI = 1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7- |
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| Abbreviations = |
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| InChIKey1 = QEWSARCWWQPUSM-YFHOEESVSA-N |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| InChI1 = 1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7- |
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| ChemSpiderID = 4445042 |
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| CASNo = |
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| ChEMBL_Ref = {{ebicite|changed|EBI}} |
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| ChEMBL = 83527 |
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| ChEMBL = 450490 |
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| PubChem = 11424846 |
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| InChI = 1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ |
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| ChemSpiderID = 9599722 |
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| InChIKey = VLEUZFDZJKSGMX-ONEGZZNKBK |
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| StdInChIKey = QEWSARCWWQPUSM-YFHOEESVSA-N |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| SMILES = O=C(c2ccc1OCC(/C=C\c1c2)=Cl)C |
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| StdInChI = 1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ |
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| StdInChI = 1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7- |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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}} |
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| StdInChIKey = VLEUZFDZJKSGMX-ONEGZZNKSA-N |
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| InChIKey1 = VLEUZFDZJKSGMX-ONEGZZNKSA-N |
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| CASNo_Ref = {{cascite|changed|??}} |
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| CASNo = <!-- blanked - oldvalue: 537-42-8 --> |
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| EINECS = |
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| PubChem = 5281727 |
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| SMILES = O(c1cc(cc(OC)c1)\C=C\c2ccc(O)cc2)C |
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| InChI = |
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| RTECS = |
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| MeSHName = |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = |
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| ATCCode_prefix = |
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| ATCCode_suffix = |
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| ATC_Supplemental =}} |
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| Section2 = {{Chembox Properties |
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| Section2 = {{Chembox Properties |
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| Formula = C<sub>16</sub>H<sub>16</sub>O<sub>3</sub> |
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| Formula = C<sub>13</sub>H<sub>11</sub>ClO<sub>2</sub> |
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| MolarMass = 256.296 g/mol |
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| MolarMass = 234.678 |
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| Appearance = |
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| ExactMass = 256.109944 |
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| Appearance = |
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| Density = |
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| MeltingPt = |
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| Density = |
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| BoilingPt = |
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| MeltingPt = |
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| Melting_notes = |
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| Solubility = |
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}} |
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| BoilingPt = |
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| Section3 = {{Chembox Hazards |
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| Boiling_notes = |
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| MainHazards = |
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| Solubility = |
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| FlashPt = |
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| SolubleOther = |
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| Autoignition = |
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| Solvent = |
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}} |
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| pKa = |
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| pKb = }} |
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| Section7 = {{Chembox Hazards |
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| EUClass = |
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| EUIndex = |
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| MainHazards = |
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| NFPA-H = |
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| NFPA-F = |
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| NFPA-R = |
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| NFPA-O = |
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| RPhrases = |
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| SPhrases = |
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| RSPhrases = |
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| FlashPt = |
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| Autoignition = |
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| ExploLimits = |
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| PEL = }} |
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}} |
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}} |
