Difference between revisions of "CPD-14950"

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(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 3: Line 3:
 
* smiles:
 
* smiles:
 
** COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))
 
** 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:
 
* molecular weight:
 
** 300.267     
 
** 300.267     
 +
* inchi key:
 +
** InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N
 +
* common name:
 +
** 3-O-methylkaempferol
 
* Synonym(s):
 
* Synonym(s):
 
** kaempferol 3-methyl ether
 
** kaempferol 3-methyl ether
** 3-Methoxyapigenin
+
** 3-methoxyapigenin
 
** isokaempferide
 
** isokaempferide
 
** 3-methylkaempferol
 
** 3-methylkaempferol
Line 20: Line 20:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280862 5280862]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1579 1579]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1579 1579]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280862 5280862]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C05902 C05902]
 
** [http://www.genome.jp/dbget-bin/www_bget?C05902 C05902]
 
{{#set: smiles=COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))}}
 
{{#set: smiles=COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))}}
{{#set: common name=3-O-methylkaempferol}}
 
{{#set: inchi key=InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N}}
 
 
{{#set: molecular weight=300.267    }}
 
{{#set: molecular weight=300.267    }}
{{#set: common name=kaempferol 3-methyl ether|3-Methoxyapigenin|isokaempferide|3-methylkaempferol}}
+
{{#set: inchi key=InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N}}
 +
{{#set: common name=3-O-methylkaempferol}}
 +
{{#set: common name=kaempferol 3-methyl ether|3-methoxyapigenin|isokaempferide|3-methylkaempferol}}
 
{{#set: produced by=RXN-13935}}
 
{{#set: produced by=RXN-13935}}

Latest revision as of 15:05, 10 January 2019

Metabolite CPD-14950

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