Difference between revisions of "CPD-14950"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APIGENIN APIGENIN] == * smiles: ** C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O) * common na...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14950 CPD-14950] == * smiles: ** COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)) * c...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APIGENIN APIGENIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14950 CPD-14950] ==
 
* smiles:
 
* smiles:
−
** C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)
+
** COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))
 
* common name:
 
* common name:
−
** 2',4,4',6'-tetrahydroxychalcone
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** 3-O-methylkaempferol
 
* inchi key:
 
* inchi key:
−
** InChIKey=YQHMWTPYORBCMF-ZZXKWVIFSA-N
+
** InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 272.257    
+
** 300.267    
 
* Synonym(s):
 
* Synonym(s):
−
** naringenin chalcone
+
** kaempferol 3-methyl ether
−
** chalconaringenin
+
** 3-Methoxyapigenin
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** 2'4'6'4-Tetrahydroxychalcone
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** isokaempferide
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** Isosalipurpol
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** 3-methylkaempferol
−
** tetrahydroxychalcone
+
−
** 3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[APIGNAR-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13935]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 73692-50-9
 
−
* LIPID_MAPS : LMPK12120264
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280960 5280960]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280862 5280862]
−
* HMDB : HMDB29631
+
−
* LIGAND-CPD:
+
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** [http://www.genome.jp/dbget-bin/www_bget?C06561 C06561]
+
−
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4444447.html 4444447]
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15413 15413]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1579 1579]
−
* METABOLIGHTS : MTBLC15413
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* LIGAND-CPD:
−
{{#set: smiles=C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05902 C05902]
−
{{#set: common name=2',4,4',6'-tetrahydroxychalcone}}
+
{{#set: smiles=COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))}}
−
{{#set: inchi key=InChIKey=YQHMWTPYORBCMF-ZZXKWVIFSA-N}}
+
{{#set: common name=3-O-methylkaempferol}}
−
{{#set: molecular weight=272.257   }}
+
{{#set: inchi key=InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N}}
−
{{#set: common name=naringenin chalcone|chalconaringenin|2'4'6'4-Tetrahydroxychalcone|Isosalipurpol|tetrahydroxychalcone|3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one}}
+
{{#set: molecular weight=300.267   }}
−
{{#set: consumed by=APIGNAR-RXN}}
+
{{#set: common name=kaempferol 3-methyl ether|3-Methoxyapigenin|isokaempferide|3-methylkaempferol}}
 +
{{#set: produced by=RXN-13935}}

Latest revision as of 21:20, 21 March 2018

Metabolite CPD-14950

  • smiles:
    • COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))
  • common name:
    • 3-O-methylkaempferol
  • inchi key:
    • InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N
  • molecular weight:
    • 300.267
  • Synonym(s):
    • kaempferol 3-methyl ether
    • 3-Methoxyapigenin
    • isokaempferide
    • 3-methylkaempferol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-14950&oldid=47857"