ChEBI

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

ChEBI Name (2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone ChEBI ID CHEBI:48412 ChEBI ASCII Name (2S,3S,4S)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]-4-(trifluoroacetyl)cyclohexanone Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H25F3O3 Net Charge 0 Average Mass 334.37380 Monoisotopic Mass 334.17558 InChI InChI=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 InChIKey MUKXQNBCKOXHTO-HRYNPVEISA-N SMILES CO[C@H]1[C@@H]([C@H](CCC1=O)C(=O)C(F)(F)F)C(\C)=C\CCC(C)C Roles Classification Application(s): angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. View more via ChEBI Ontology ChEBI Ontology Outgoing (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)-cyclohexanone Patent Manual Xref Database FR2872511 Patent View more database links Registry Number Type Source 9941977 Reaxys Registry Number Reaxys Last Modified 14 July 2011