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CHEBI:93966 - (3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

ChEBI IDCHEBI:93966
ChEBI Name(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC55H49N3O9
Net Charge0
Average Mass896.009
Monoisotopic Mass895.34688
SMILESCOc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C55H49N3O9/c1-63-41-21-16-34(17-22-41)14-15-35-18-25-44-43(30-35)55(54(62)56-44)47(52(60)57-27-26-39-31-45(64-2)46(65-3)32-40(39)33-57)49-53(61)67-50(37-12-8-5-9-13-37)48(36-10-6-4-7-11-36)58(49)51(55)38-19-23-42(24-20-38)66-29-28-59/h4-13,16-25,30-32,47-51,59H,26-29,33H2,1-3H3,(H,56,62)/t47-,48-,49-,50+,51+,55-/m1/s1
InChIKeyRKZHAKBSCCRTSX-RXUISWLBSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-[4-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (CHEBI:93966) is a diarylheptanoid (CHEBI:78802)
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