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CHEBI:132925 - SH-11037

ChEBI IDCHEBI:132925
ChEBI NameSH-11037
Stars
DefinitionA homoisoflavonoid that is cremastranone in which the phenolic hydroxy of the 3-hydroxy-4-methoxybenzyl group has undergone formal esterification with N-Boc-L-phenylalanine and in which both of the remaining hydroxy groups have undergone O-methylation.
Last Modified10 September 2024
Submittersabrina, zfin
DownloadsMolfile
FormulaC34H39NO10
Net Charge0
Average Mass621.683
Monoisotopic Mass621.25740
SMILESCOc1ccc(CC2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C34H39NO10/c1-34(2,3)45-33(38)35-23(16-20-11-9-8-10-12-20)32(37)44-25-17-21(13-14-24(25)39-4)15-22-19-43-26-18-27(40-5)30(41-6)31(42-7)28(26)29(22)36/h8-14,17-18,22-23H,15-16,19H2,1-7H3,(H,35,38)/t22?,23-/m0/s1
InChIKeyWNDLJGVBWVLFKK-WCSIJFPASA-N
Roles Classification
Applications:
pharmaceutical  Any substance introduced into a living organism with therapeutic or diagnostic purpose.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
SH-11037 (CHEBI:132925) has functional parent cremastranone (CHEBI:132956)
SH-11037 (CHEBI:132925) has role angiogenesis inhibitor (CHEBI:48422)
SH-11037 (CHEBI:132925) has role pharmaceutical (CHEBI:52217)
SH-11037 (CHEBI:132925) is a L-phenylalanine derivative (CHEBI:84144)
SH-11037 (CHEBI:132925) is a aromatic ether (CHEBI:35618)
SH-11037 (CHEBI:132925) is a carbamate ester (CHEBI:23003)
SH-11037 (CHEBI:132925) is a homoisoflavonoid (CHEBI:86008)
SH-11037 (CHEBI:132925) is a semisynthetic derivative (CHEBI:72588)
IUPAC Name 
2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl N-(tert-butoxycarbonyl)-L-phenylalaninate
Synonym  Source
2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoateIUPAC
Registry NumbersSources
Reaxys:27554585Reaxys
Citations