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CHEBI:74654 - JP-8g

ChEBI IDCHEBI:74654
ChEBI NameJP-8g
Stars
DefinitionAn organic heterohexacyclic compound and spirooxindole-type pyranopyrimidine spiro compound in which the shared atom of the spiro system is the carbon at position 3 of 1-allyl-7-fluoro-1,3-dihydro-2H-indol-2-one.
Last Modified16 July 2013
SubmitterSunYL
DownloadsMolfile
FormulaC27H17F2N3O6
Net Charge0
Average Mass517.444
Monoisotopic Mass517.10854
SMILESC=CCN1C(=O)[C@@]2(c3cccc(F)c31)c1c(c3cc(F)ccc3oc1=O)Oc1nc(C)n(C(C)=O)c(=O)c12
InChIInChI=1S/C27H17F2N3O6/c1-4-10-31-21-16(6-5-7-17(21)29)27(26(31)36)19-22(15-11-14(28)8-9-18(15)37-25(19)35)38-23-20(27)24(34)32(13(3)33)12(2)30-23/h4-9,11H,1,10H2,2-3H3/t27-/m0/s1
InChIKeyWVKHBHOIOXXGLG-MHZLTWQESA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
JP-8g (CHEBI:74654) has role antineoplastic agent (CHEBI:35610)
JP-8g (CHEBI:74654) is a organic heterohexacyclic compound (CHEBI:51914)
JP-8g (CHEBI:74654) is a organofluorine compound (CHEBI:37143)
JP-8g (CHEBI:74654) is a oxindoles (CHEBI:38459)
JP-8g (CHEBI:74654) is a spiro compound (CHEBI:33599)
IUPAC Name 
(7R)-9-acetyl-1'-allyl-2,7'-difluoro-10-methyl-6H-spiro[chromeno[3',4':5,6]pyrano[2,3-d]pyrimidine-7,3'-indole]-2',6,8(1'H,9H)-trione
Registry NumbersSources
Reaxys:22422170Reaxys