Difference between revisions of "CONIFERYL-ALCOHOL"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-90 CPD1F-90] == * smiles: ** C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3) *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALCOHOL CONIFERYL-ALCOHOL] == * smiles: ** COC1(=CC(C=CCO)=CC=C(O)1) * inchi key: **...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-90 CPD1F-90] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALCOHOL CONIFERYL-ALCOHOL] ==
 
* smiles:
 
* smiles:
** C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)
+
** COC1(=CC(C=CCO)=CC=C(O)1)
 
* inchi key:
 
* inchi key:
** InChIKey=IYRMWMYZSQPJKC-UHFFFAOYSA-M
+
** InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N
 
* common name:
 
* common name:
** kaempferol
+
** coniferyl alcohol
 
* molecular weight:
 
* molecular weight:
** 285.232    
+
** 180.203    
 
* Synonym(s):
 
* Synonym(s):
 +
** 4-hydroxy-3-methoxycinnamyl alcohol
 +
** 3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol
 +
** 4-(3-hydroxy-1-propenyl)-2-methoxyphenol
 +
** γ-hydroxyisoeugenol
 +
** coniferol
 +
** E-coniferyl alcohol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN1F-461]]
+
* [[RXN-17352]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN1F-93]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 458-35-5
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202062 25202062]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549095 1549095]
* CHEBI:
+
* HMDB : HMDB12915
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58573 58573]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05903 C05903]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00590 C00590]
* HMDB : HMDB05801
+
* CHEMSPIDER:
{{#set: smiles=C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)}}
+
** [http://www.chemspider.com/Chemical-Structure.1266063.html 1266063]
{{#set: inchi key=InChIKey=IYRMWMYZSQPJKC-UHFFFAOYSA-M}}
+
* CHEBI:
{{#set: common name=kaempferol}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17745 17745]
{{#set: molecular weight=285.232   }}
+
* METABOLIGHTS : MTBLC17745
{{#set: consumed by=RXN1F-461}}
+
{{#set: smiles=COC1(=CC(C=CCO)=CC=C(O)1)}}
{{#set: produced by=RXN1F-93}}
+
{{#set: inchi key=InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N}}
 +
{{#set: common name=coniferyl alcohol}}
 +
{{#set: molecular weight=180.203   }}
 +
{{#set: common name=4-hydroxy-3-methoxycinnamyl alcohol|3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol|4-(3-hydroxy-1-propenyl)-2-methoxyphenol|γ-hydroxyisoeugenol|coniferol|E-coniferyl alcohol}}
 +
{{#set: consumed by=RXN-17352}}

Latest revision as of 19:55, 21 March 2018

Metabolite CONIFERYL-ALCOHOL

  • smiles:
    • COC1(=CC(C=CCO)=CC=C(O)1)
  • inchi key:
    • InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N
  • common name:
    • coniferyl alcohol
  • molecular weight:
    • 180.203
  • Synonym(s):
    • 4-hydroxy-3-methoxycinnamyl alcohol
    • 3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol
    • 4-(3-hydroxy-1-propenyl)-2-methoxyphenol
    • γ-hydroxyisoeugenol
    • coniferol
    • E-coniferyl alcohol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 458-35-5
  • PUBCHEM:
  • HMDB : HMDB12915
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17745