Difference between revisions of "CPD-3041"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8608 CPD-8608] == * smiles: ** CC(C)CCCC([CH]4(C1(C)(C(C=O)(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] == * smiles: ** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2) * common name:...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8608 CPD-8608] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC([CH]4(C1(C)(C(C=O)(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C
+
** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
* inchi key:
+
** InChIKey=MKMLAQLNFVFNRK-PUXRVUTHSA-N
+
 
* common name:
 
* common name:
** 4,4-dimethyl-14α-formyl-5α-cholesta-8-en-3β-ol
+
** isoliquiritigenin
 +
* inchi key:
 +
** InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
 
* molecular weight:
 
* molecular weight:
** 442.724    
+
** 256.257    
 
* Synonym(s):
 
* Synonym(s):
 +
** 42'4'-trihydroxychalcone
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-13]]
+
* [[RXN-3221]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-12]]
+
* [[RXN-3142]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB03285
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15698824 15698824]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=638278 638278]
 +
* HMDB : HMDB37316
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C08650 C08650]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.553829.html 553829]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87060 87060]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=310312 310312]
* HMDB : HMDB12159
+
* METABOLIGHTS : MTBLC310312
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)(C(C=O)(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C}}
+
{{#set: smiles=C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)}}
{{#set: inchi key=InChIKey=MKMLAQLNFVFNRK-PUXRVUTHSA-N}}
+
{{#set: common name=isoliquiritigenin}}
{{#set: common name=4,4-dimethyl-14α-formyl-5α-cholesta-8-en-3β-ol}}
+
{{#set: inchi key=InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N}}
{{#set: molecular weight=442.724    }}
+
{{#set: molecular weight=256.257    }}
{{#set: consumed by=RXN66-13}}
+
{{#set: common name=42'4'-trihydroxychalcone}}
{{#set: produced by=RXN66-12}}
+
{{#set: consumed by=RXN-3221}}
 +
{{#set: produced by=RXN-3142}}

Latest revision as of 20:37, 21 March 2018

Metabolite CPD-3041

  • smiles:
    • C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
  • common name:
    • isoliquiritigenin
  • inchi key:
    • InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
  • molecular weight:
    • 256.257
  • Synonym(s):
    • 42'4'-trihydroxychalcone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB03285
  • PUBCHEM:
  • HMDB : HMDB37316
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC310312