CHEBI:74654 - JP-8g

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name JP-8g
ChEBI ID CHEBI:74654
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter SunYL
Supplier Information
Download Molfile XML SDF
Formula C27H17F2N3O6
Net Charge 0
Average Mass 517.43720
Monoisotopic Mass 517.10854
InChI InChI=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
InChIKey WVKHBHOIOXXGLG-MHZLTWQESA-N
SMILES CC(=O)n1c(C)nc2Oc3c(c(=O)oc4ccc(F)cc34)[C@]3(C(=O)N(CC=C)c4c(F)cccc34)c2c1=O
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
22422170 Reaxys Registry Number Reaxys
Last Modified
16 July 2013
General Comment
2013-07-16 For synthesis and preliminary biological evaluation for anticancer activity, see Jiang, X., Sun, Y., Yao, J., Cao, Y., Kai, M., He, N., Zhang, X., Wang, Y. and Wang, R. (2012) Core scaffold-inspired concise synthesis of chiral spirooxindole-pyranopyrimidines with broad-spectrum anticancer potency. Adv. Synth. Catal., 354(5), 917-925.