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CHEBI:48412 - (2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone

ChEBI IDCHEBI:48412
ChEBI Name(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone
Stars
ASCII Name(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone
DefinitionAn alicyclic ketone that is cyclohexanone in which the pro-S hydrogens at positions 2, 3, and 4 are substituted by methoxy, (2E)-6-methylhept-2-en-2-yl, and trifluoroacetyl groups, respectively.
Last Modified14 July 2011
Submitterhcourrier
DownloadsMolfile
FormulaC17H25F3O3
Net Charge0
Average Mass334.378
Monoisotopic Mass334.17558
SMILESCO[C@@H]1C(=O)CC[C@H](C(=O)C(F)(F)F)[C@H]1/C(C)=C/CCC(C)C
InChIInChI=1S/C17H25F3O3/c1-10(2)6-5-7-11(3)14-12(16(22)17(18,19)20)8-9-13(21)15(14)23-4/h7,10,12,14-15H,5-6,8-9H2,1-4H3/b11-7+/t12-,14+,15+/m0/s1
InChIKeyMUKXQNBCKOXHTO-HRYNPVEISA-N
Roles Classification
Application:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone (CHEBI:48412) has functional parent fumagalone (CHEBI:48530)
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone (CHEBI:48412) has role angiogenesis inhibitor (CHEBI:48422)
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone (CHEBI:48412) is a alicyclic ketone (CHEBI:36132)
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone (CHEBI:48412) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone
Synonym  Source
2(S)-3(S)-4(S)-3-(1,5-dimethyl-hex-1-enyl)-2-methoxy-4-(2,2,2-trifluoroacetyl)-cyclohexanonePatent
Manual XrefsDatabases
FR2872511Patent
Registry NumbersSources
Reaxys:9941977Reaxys